| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 47.4 | Very low | 64.8 | Low | 247 Ų | 247 | 139.8 Ų | 139.8 | 100% | 1.217 | 69% | 0.687 | S | S | * | * | 0 | 123.2 | 0 | -129.4 | 176.8 | -79.7 | 0 | 0 | 106.7 | |||||
| 2 | K | 67.1 | Low | 63.1 | Low | 194 Ų | 194 | 137.3 Ų | 137.3 | 84% | 0.843 | 69% | 0.689 | S | S | * | * | trans | -71.9 | 136.4 | 176.5 | -71.7 | 178.6 | 178.6 | 177.7 | 0 | 108.3 | R4 | K2-R4 PolarHBondContact O-N 3.45Š| ||
| 3 | D | 72.4 | Confident | 61.7 | Low | 131 Ų | 131 | 135.9 Ų | 135.9 | 70% | 0.701 | 70% | 0.7 | S | S | * | * | trans | -65.1 | 114.5 | 176.6 | -174 | -1 | 0 | 0 | 0 | 109.4 | L5 | D3-L5 WeakPolarHBondContact OD1-CB 3.17Å; D3-L5 PolarHBondContact OD1-N 3.37Å | ||
| 4 | R | 80.8 | Confident | 60 | Low | 155 Ų | 155 | 131.9 Ų | 131.9 | 59% | 0.585 | 70% | 0.697 | S | S | * | * | trans | -115.4 | 17.2 | 176.4 | -61.8 | -173.4 | 79.9 | -170.4 | 3.7 | 111.3 | K2 C6 E7 L8 | K2-R4 PolarHBondContact O-N 3.45Å; R4-C6 PolarHBondContact O-N 3.47Å; R4-E7 HydrophobicContact CB-CB 4.41Å; R4-E7 HydrophobicContact CB-CG 4.35Å; R4-E7 WeakPolarHBondContact CG-OE1 3.37Å; R4-E7 IonicContact CZ-OE1 3.77Å; R4-E7 IonicContact CZ-OE2 2.8Å; R4-E7 IonicContact NE-OE1 3.44Å; R4-E7 PolarHBondContact NE-OE1 3.36Å; R4-E7 IonicContact NE-OE2 3.5Å; R4-E7 PolarHBondContact NE-OE2 3.2Å; R4-E7 IonicContact NH2-OE1 3.66Å; R4-E7 IonicContact NH2-OE2 2.96Å; R4-E7 PolarHBondContact NH2-OE2 2.91Å; R4-E7 WeakPolarHBondContact O-CB 3.45Å; R4-E7 PolarHBondContact O-N 3.44Å; R4-L8 PolarHBondContact O-N 3.41Å | ||
| 5 | L | 74.2 | Confident | 58.6 | Low | 102 Ų | 102 | 131.2 Ų | 131.2 | 53% | 0.534 | 70% | 0.703 | S | S | . | * | H | α-helix | trans | -57.3 | -37.7 | -179 | -167.7 | 79 | 0 | 0 | 0 | 111.6 | D3 E7 L8 Q9 | D3-L5 WeakPolarHBondContact OD1-CB 3.17Å; D3-L5 PolarHBondContact OD1-N 3.37Å; L5-E7 VanDerWaalsContact C-N 3.25Å; L5-E7 PolarHBondContact O-N 3.02Å; L5-L8 PolarHBondContact O-N 2.97Å; L5-Q9 PolarHBondContact O-N 3.22Å |
| 6 | C | 71.9 | Confident | 57.3 | Low | 89 Ų | 89 | 131.6 Ų | 131.6 | 60% | 0.601 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -62.8 | -29.6 | 175.5 | -63.5 | 0 | 0 | 0 | 0 | 113.4 | R4 T10 | R4-C6 PolarHBondContact O-N 3.47Å; C6-T10 PolarHBondContact O-N 2.98Å; C6-T10 PolarHBondContact O-OG1 3.26Å |
| 7 | E | 73.9 | Confident | 56 | Low | 86 Ų | 86 | 134.9 Ų | 134.9 | 40% | 0.402 | 72% | 0.722 | S | S | . | * | H | α-helix | trans | -77.6 | -26.7 | 178.9 | -57.1 | -177.1 | -141.7 | 0 | 0 | 111.8 | R4 L5 T10 F11 | R4-E7 HydrophobicContact CB-CB 4.41Å; R4-E7 HydrophobicContact CB-CG 4.35Å; R4-E7 WeakPolarHBondContact CG-OE1 3.37Å; R4-E7 IonicContact CZ-OE1 3.77Å; R4-E7 IonicContact CZ-OE2 2.8Å; R4-E7 IonicContact NE-OE1 3.44Å; R4-E7 PolarHBondContact NE-OE1 3.36Å; R4-E7 IonicContact NE-OE2 3.5Å; R4-E7 PolarHBondContact NE-OE2 3.2Å; R4-E7 IonicContact NH2-OE1 3.66Å; R4-E7 IonicContact NH2-OE2 2.96Å; R4-E7 PolarHBondContact NH2-OE2 2.91Å; R4-E7 WeakPolarHBondContact O-CB 3.45Å; R4-E7 PolarHBondContact O-N 3.44Å; L5-E7 VanDerWaalsContact C-N 3.25Å; L5-E7 PolarHBondContact O-N 3.02Å; E7-T10 WeakPolarHBondContact CA-OG1 3.44Å; E7-T10 PolarHBondContact O-OG1 3.31Å; E7-T10 VanDerWaalsContact O-OG1 3.08Å; E7-F11 VanDerWaalsContact O-CD2 3.27Å; E7-F11 WeakPolarHBondContact O-CD2 3.29Å; E7-F11 WeakPolarHBondContact O-CE2 3.44Å |
| 8 | L | 61.9 | Low | 55.2 | Low | 125 Ų | 125 | 137 Ų | 137 | 65% | 0.654 | 73% | 0.727 | S | S | * | * | H | α-helix | trans | -77.5 | -30 | 173.9 | -70.1 | 169.8 | 0 | 0 | 0 | 112.4 | R4 L5 T10 F11 | R4-L8 PolarHBondContact O-N 3.41Å; L5-L8 PolarHBondContact O-N 2.97Å; L8-T10 VanDerWaalsContact C-N 3.29Å; L8-F11 HydrophobicContact CD2-CE2 4.44Å |
| 9 | Q | 62.6 | Low | 54.1 | Low | 147 Ų | 147 | 139.9 Ų | 139.9 | 69% | 0.687 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.3 | -15.3 | 176.4 | -70.3 | 177.8 | -8.3 | 0 | 0 | 113.5 | L5 | L5-Q9 PolarHBondContact O-N 3.22Š|
| 10 | T | 53.3 | Low | 53.1 | Low | 104 Ų | 104 | 144.7 Ų | 144.7 | 64% | 0.638 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.1 | -3.8 | -178.1 | 33.9 | 0 | 0 | 0 | 0 | 113.9 | C6 E7 L8 P12 | C6-T10 PolarHBondContact O-N 2.98Å; C6-T10 PolarHBondContact O-OG1 3.26Å; E7-T10 WeakPolarHBondContact CA-OG1 3.44Å; E7-T10 PolarHBondContact O-OG1 3.31Å; E7-T10 VanDerWaalsContact O-OG1 3.08Å; L8-T10 VanDerWaalsContact C-N 3.29Å; T10-P12 WeakPolarHBondContact O-CD 3.39Å |
| 11 | F | 47 | Very low | 52.2 | Low | 158 Ų | 158 | 140.9 Ų | 140.9 | 69% | 0.693 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -68.1 | 110 | 165.8 | -75.5 | -81.5 | 0 | 0 | 0 | 108.6 | E7 L8 S13 | E7-F11 VanDerWaalsContact O-CD2 3.27Å; E7-F11 WeakPolarHBondContact O-CD2 3.29Å; E7-F11 WeakPolarHBondContact O-CE2 3.44Å; L8-F11 HydrophobicContact CD2-CE2 4.44Å; F11-S13 PolarHBondContact O-N 3.45Å |
| 12 | P | 44.5 | Very low | 51.8 | Low | 110 Ų | 110 | 134.8 Ų | 134.8 | 71% | 0.714 | 72% | 0.718 | S | S | * | * | trans | -61.7 | 137.8 | 167.8 | -6.5 | 24.5 | 0 | 0 | 0 | 106.1 | T10 A14 | T10-P12 WeakPolarHBondContact O-CD 3.39Å; P12-A14 PolarHBondContact O-N 3.26Å | ||
| 13 | S | 45.1 | Very low | 50.8 | Low | 119 Ų | 119 | 133.2 Ų | 133.2 | 83% | 0.832 | 72% | 0.719 | S | S | * | * | trans | -58 | 95.5 | 165.8 | 52.1 | 0 | 0 | 0 | 0 | 107.3 | F11 | F11-S13 PolarHBondContact O-N 3.45Š| ||
| 14 | A | 37.4 | Very low | 49.2 | Very low | 80 Ų | 80 | 134.6 Ų | 134.6 | 66% | 0.661 | 72% | 0.722 | S | S | * | * | trans | -56.6 | 133.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 107.3 | P12 T16 | P12-A14 PolarHBondContact O-N 3.26Å; A14-T16 PolarHBondContact O-N 2.66Å | ||
| 15 | P | 39.3 | Very low | 47.2 | Very low | 121 Ų | 121 | 134.9 Ų | 134.9 | 79% | 0.786 | 74% | 0.735 | S | S | * | * | trans | -63.5 | 112.4 | 168.8 | 1.9 | 11.4 | 0 | 0 | 0 | 106.2 | E17 | P15-E17 PolarHBondContact O-N 3.27Š| ||
| 16 | T | 37.6 | Very low | 45.8 | Very low | 138 Ų | 138 | 139.5 Ų | 139.5 | 85% | 0.847 | 75% | 0.754 | S | S | * | * | trans | -55.5 | 110 | 166.4 | 10.9 | 0 | 0 | 0 | 0 | 107.6 | A14 E18 | A14-T16 PolarHBondContact O-N 2.66Å; T16-E18 PolarHBondContact O-N 2.85Å | ||
| 17 | E | 35.5 | Very low | 44.7 | Very low | 187 Ų | 187 | 142.7 Ų | 142.7 | 87% | 0.874 | 76% | 0.76 | S | S | * | * | trans | -55.5 | 132.5 | 169.4 | -70.5 | -174.8 | 155.8 | 0 | 0 | 109.1 | P15 E19 | P15-E17 PolarHBondContact O-N 3.27Å; E17-E19 PolarHBondContact O-N 3.4Å; E17-E19 VanDerWaalsContact O-N 3.13Å | ||
| 18 | E | 42.6 | Very low | 43.2 | Very low | 173 Ų | 173 | 147 Ų | 147 | 81% | 0.808 | 78% | 0.784 | S | S | * | * | trans | -72.9 | 97.4 | -177.5 | -66.1 | -172.8 | 157.1 | 0 | 0 | 110.7 | T16 R20 | T16-E18 PolarHBondContact O-N 2.85Å; E18-R20 PolarHBondContact O-N 3.39Å | ||
| 19 | E | 33.2 | Very low | 42.6 | Very low | 193 Ų | 193 | 144.9 Ų | 144.9 | 90% | 0.902 | 77% | 0.773 | S | S | * | * | trans | -85.3 | 104.6 | 155 | -74.1 | -161.7 | 159.6 | 0 | 0 | 109.4 | E17 G21 | E17-E19 PolarHBondContact O-N 3.4Å; E17-E19 VanDerWaalsContact O-N 3.13Å; E19-G21 PolarHBondContact O-N 3.18Å | ||
| 20 | R | 34.9 | Very low | 42 | Very low | 234 Ų | 234 | 144.9 Ų | 144.9 | 88% | 0.883 | 77% | 0.774 | S | S | * | * | trans | -72.4 | 98.1 | 164.2 | -86.5 | -176.6 | -167.1 | -146.5 | 1.8 | 109.1 | E18 | E18-R20 PolarHBondContact O-N 3.39Š| ||
| 21 | G | 33.6 | Very low | 41.7 | Very low | 65 Ų | 65 | 148.1 Ų | 148.1 | 67% | 0.67 | 78% | 0.781 | S | S | * | * | trans | -76 | 143.8 | 158.2 | 0 | 0 | 0 | 0 | 0 | 111 | E19 | E19-G21 PolarHBondContact O-N 3.18Š| ||
| 22 | P | 39.5 | Very low | 41.9 | Very low | 119 Ų | 119 | 147.7 Ų | 147.7 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | trans | -80.7 | 134.3 | -176.2 | 32 | -31.1 | 0 | 0 | 0 | 111.8 | ||||
| 23 | N | 45.8 | Very low | 42.2 | Very low | 161 Ų | 161 | 146.7 Ų | 146.7 | 86% | 0.861 | 78% | 0.782 | S | S | * | * | trans | 45.7 | 94.6 | 162.1 | -62.3 | -14.4 | 0 | 0 | 0 | 117.1 | ||||
| 24 | E | 38.2 | Very low | 42.6 | Very low | 161 Ų | 161 | 146.8 Ų | 146.8 | 75% | 0.752 | 78% | 0.778 | S | S | * | * | trans | -112.2 | 126.7 | 156.3 | -71.9 | -175.6 | -177.8 | 0 | 0 | 108.1 | K269 | E24-K269 IonicContact OE2-NZ 3.67Å; E24-K269 PolarHBondContact OE2-NZ 3.05Å; E24-K269 VanDerWaalsContact OE2-NZ 3.16Å | ||
| 25 | D | 38.6 | Very low | 43.4 | Very low | 160 Ų | 160 | 148.3 Ų | 148.3 | 86% | 0.856 | 78% | 0.778 | S | S | * | * | trans | -48.2 | 137.6 | -176.4 | -63.3 | -55.6 | 0 | 0 | 0 | 113 | E27 | D25-E27 PolarHBondContact O-N 3.29Š| ||
| 26 | E | 44.9 | Very low | 44.2 | Very low | 200 Ų | 200 | 149.8 Ų | 149.8 | 94% | 0.935 | 77% | 0.773 | S | S | * | * | trans | -68.4 | 74.5 | 170.9 | -97.5 | 179.5 | 161.2 | 0 | 0 | 109.8 | L28 | E26-L28 PolarHBondContact O-N 3Š| ||
| 27 | E | 48.6 | Very low | 45.1 | Very low | 156 Ų | 156 | 152 Ų | 152 | 73% | 0.729 | 77% | 0.773 | S | S | * | * | trans | -66.4 | 118.5 | 162.3 | -104.3 | -178.5 | 168.7 | 0 | 0 | 108.4 | D25 L29 | D25-E27 PolarHBondContact O-N 3.29Å; E27-L29 VanDerWaalsContact C-N 3.27Å; E27-L29 PolarHBondContact O-N 2.85Å | ||
| 28 | L | 43.7 | Very low | 46.4 | Very low | 175 Ų | 175 | 144.2 Ų | 144.2 | 92% | 0.916 | 74% | 0.744 | S | S | * | * | trans | -65.2 | 87.5 | 173.6 | -124.9 | 125.1 | 0 | 0 | 0 | 108.3 | E26 E30 | E26-L28 PolarHBondContact O-N 3Å; L28-E30 PolarHBondContact O-N 3.47Å | ||
| 29 | L | 48.7 | Very low | 47.7 | Very low | 81 Ų | 81 | 142 Ų | 142 | 42% | 0.424 | 73% | 0.733 | S | S | . | * | trans | -76.1 | 106.7 | -179 | -69.7 | 162.7 | 0 | 0 | 0 | 109.8 | E27 Q31 Y270 | E27-L29 VanDerWaalsContact C-N 3.27Å; E27-L29 PolarHBondContact O-N 2.85Å; L29-Q31 PolarHBondContact O-N 3.09Å; L29-Y270 HydrophobicContact CB-CD1 4.48Å; L29-Y270 HydrophobicContact CB-CE1 3.41Å; L29-Y270 VanDerWaalsContact CB-CE1 3.41Å; L29-Y270 HydrophobicContact CD1-CD1 4.25Å; L29-Y270 HydrophobicContact CD1-CE1 3.48Å; L29-Y270 VanDerWaalsContact CD1-CE1 3.48Å; L29-Y270 HydrophobicContact CG-CE1 3.95Å | ||
| 30 | E | 50.1 | Low | 49.9 | Very low | 148 Ų | 148 | 139.7 Ų | 139.7 | 69% | 0.692 | 73% | 0.727 | S | S | * | * | trans | -59.7 | 120.6 | 172.9 | -73.2 | -176.9 | 162.4 | 0 | 0 | 110.8 | L28 H32 | L28-E30 PolarHBondContact O-N 3.47Å; E30-H32 PolarHBondContact O-N 3.22Å; E30-H32 IonicContact OE2-CE1 3.28Å | ||
| 31 | Q | 47.6 | Very low | 52.1 | Low | 172 Ų | 172 | 131.5 Ų | 131.5 | 80% | 0.804 | 70% | 0.703 | S | S | * | * | trans | -68.7 | 101.3 | 174.5 | -82.1 | 179.7 | -13.2 | 0 | 0 | 110.4 | L29 | L29-Q31 PolarHBondContact O-N 3.09Š| ||
| 32 | H | 51.3 | Low | 54.4 | Low | 148 Ų | 148 | 130.8 Ų | 130.8 | 69% | 0.685 | 68% | 0.683 | S | S | * | * | trans | -91.6 | 127.9 | 166.3 | -82.1 | 71.6 | 0 | 0 | 0 | 110.1 | E30 V34 | E30-H32 PolarHBondContact O-N 3.22Å; E30-H32 IonicContact OE2-CE1 3.28Å; H32-V34 PolarHBondContact O-N 3.19Å | ||
| 33 | A | 50.6 | Low | 56.7 | Low | 89 Ų | 89 | 129 Ų | 129 | 74% | 0.736 | 67% | 0.666 | S | S | * | * | trans | -66.1 | 126.7 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | V35 | A33-V35 VanDerWaalsContact C-N 3.34Å; A33-V35 PolarHBondContact O-N 3.02Å | ||
| 34 | V | 54 | Low | 58.8 | Low | 122 Ų | 122 | 124.2 Ų | 124.2 | 74% | 0.739 | 65% | 0.646 | S | S | * | * | trans | -77.8 | 89.3 | 174.2 | -175.5 | 0 | 0 | 0 | 0 | 108 | H32 F36 | H32-V34 PolarHBondContact O-N 3.19Å; V34-F36 HydrophobicContact CG1-CE2 4.39Å | ||
| 35 | V | 53.2 | Low | 61.2 | Low | 111 Ų | 111 | 117 Ų | 117 | 67% | 0.673 | 61% | 0.612 | S | S | * | * | trans | -84.4 | 118.2 | 165.6 | -179.1 | 0 | 0 | 0 | 0 | 106.7 | A33 Q37 | A33-V35 VanDerWaalsContact C-N 3.34Å; A33-V35 PolarHBondContact O-N 3.02Å; V35-Q37 VanDerWaalsContact C-N 3.32Å; V35-Q37 PolarHBondContact O-N 2.84Å | ||
| 36 | F | 56.6 | Low | 63.6 | Low | 152 Ų | 152 | 114.1 Ų | 114.1 | 67% | 0.667 | 59% | 0.59 | S | S | * | * | trans | -67.9 | 94.5 | 171.2 | -85.7 | -88.2 | 0 | 0 | 0 | 108.5 | V34 G38 E39 | V34-F36 HydrophobicContact CG1-CE2 4.39Å; F36-G38 PolarHBondContact O-N 3.29Å; F36-G38 VanDerWaalsContact O-N 3.17Å; F36-E39 HydrophobicContact CB-CG 4.23Å | ||
| 37 | Q | 56.8 | Low | 65.9 | Low | 185 Ų | 185 | 110.1 Ų | 110.1 | 86% | 0.864 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.7 | 119.2 | 173.3 | -71.2 | 177.4 | -10.3 | 0 | 0 | 108.8 | V35 | V35-Q37 VanDerWaalsContact C-N 3.32Å; V35-Q37 PolarHBondContact O-N 2.84Å |
| 38 | G | 62.7 | Low | 68 | Low | 24 Ų | 24 | 106.2 Ų | 106.2 | 25% | 0.247 | 55% | 0.554 | C | S | . | * | T | Hydrogen-bonded Turn | trans | 112 | 1.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | F36 D40 V41 M42 | F36-G38 PolarHBondContact O-N 3.29Å; F36-G38 VanDerWaalsContact O-N 3.17Å; G38-D40 VanDerWaalsContact C-N 3.33Å; G38-D40 PolarHBondContact O-N 2.7Å; G38-V41 PolarHBondContact O-N 2.72Å; G38-M42 WeakPolarHBondContact O-CG 3.4Å; G38-M42 PolarHBondContact O-N 3.04Å |
| 39 | E | 70.4 | Confident | 70.3 | Confident | 126 Ų | 126 | 98 Ų | 98 | 59% | 0.589 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -56.5 | -44.6 | 174.7 | -86.8 | -174 | 160.5 | 0 | 0 | 112.7 | F36 V41 M42 D43 | F36-E39 HydrophobicContact CB-CG 4.23Å; E39-V41 VanDerWaalsContact C-N 3.33Å; E39-V41 PolarHBondContact O-N 3.34Å; E39-M42 PolarHBondContact O-N 3.37Å; E39-D43 WeakPolarHBondContact O-CB 3.49Å; E39-D43 PolarHBondContact O-N 2.93Å |
| 40 | D | 79.2 | Confident | 72.4 | Confident | 144 Ų | 144 | 99.5 Ų | 99.5 | 77% | 0.77 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -64.3 | -37.6 | 179.7 | -63.4 | -35.4 | 0 | 0 | 0 | 112.5 | G38 S44 | G38-D40 VanDerWaalsContact C-N 3.33Å; G38-D40 PolarHBondContact O-N 2.7Å; D40-S44 WeakPolarHBondContact O-CB 3.29Å; D40-S44 PolarHBondContact O-N 3.44Å |
| 41 | V | 79.6 | Confident | 74.6 | Confident | 63 Ų | 63 | 96.7 Ų | 96.7 | 38% | 0.382 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -67.6 | -45.3 | 177.5 | 178.1 | 0 | 0 | 0 | 0 | 109.9 | G38 E39 S44 I45 V125 | G38-V41 PolarHBondContact O-N 2.72Å; E39-V41 VanDerWaalsContact C-N 3.33Å; E39-V41 PolarHBondContact O-N 3.34Å; V41-S44 PolarHBondContact O-N 3.33Å; V41-I45 HydrophobicContact CG1-CD1 3.81Å; V41-I45 VanDerWaalsContact O-CG1 3.25Å; V41-I45 WeakPolarHBondContact O-CG1 3.46Å; V41-I45 PolarHBondContact O-N 3.01Å; V41-I45 VanDerWaalsContact O-N 3.07Å; V41-V125 HydrophobicContact CG1-CG1 4.24Å |
| 42 | M | 82.3 | Confident | 76.8 | Confident | 50 Ų | 50 | 88.7 Ų | 88.7 | 25% | 0.246 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -62.3 | -46.6 | 178.1 | -71.5 | -171.9 | -79.4 | 0 | 0 | 111.8 | G38 E39 S44 I45 Y46 V125 M128 | G38-M42 WeakPolarHBondContact O-CG 3.4Å; G38-M42 PolarHBondContact O-N 3.04Å; E39-M42 PolarHBondContact O-N 3.37Å; M42-S44 PolarHBondContact O-N 3.25Å; M42-I45 PolarHBondContact O-N 2.95Å; M42-Y46 WeakPolarHBondContact O-CD2 3.26Å; M42-Y46 PolarHBondContact O-N 2.88Å; M42-V125 HydrophobicContact CE-CG2 4.3Å; M42-V125 HydrophobicContact CG-CG1 4.22Å; M42-V125 HydrophobicContact CG-CG2 4.04Å; M42-V125 HydrophobicContact SD-CG2 4.05Å; M42-M128 HydrophobicContact CB-CE 4.05Å; M42-M128 HydrophobicContact CB-SD 3.78Å; M42-M128 HydrophobicContact CG-CE 3.78Å; M42-M128 HydrophobicContact CG-SD 3.59Å; M42-M128 VanDerWaalsContact CG-SD 3.59Å; M42-M128 HydrophobicContact SD-SD 3.96Å |
| 43 | D | 88.1 | Confident | 78.9 | Confident | 80 Ų | 80 | 86.1 Ų | 86.1 | 43% | 0.428 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -62.9 | -42.2 | 179.8 | -175.1 | 48.6 | 0 | 0 | 0 | 112.3 | E39 I45 Y46 K47 | E39-D43 WeakPolarHBondContact O-CB 3.49Å; E39-D43 PolarHBondContact O-N 2.93Å; D43-I45 PolarHBondContact O-N 3.11Å; D43-Y46 PolarHBondContact O-N 3.48Å; D43-K47 WeakPolarHBondContact O-CG 3.35Å; D43-K47 PolarHBondContact O-N 2.92Å; D43-K47 IonicContact OD1-NZ 2.62Å; D43-K47 WeakPolarHBondContact OD2-CE 3.37Å; D43-K47 IonicContact OD2-NZ 3.74Å; D43-K47 PolarHBondContact OD2-NZ 3.47Å |
| 44 | S | 89.1 | Confident | 81 | Confident | 61 Ų | 61 | 88.2 Ų | 88.2 | 43% | 0.427 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -58 | -48.3 | 174.3 | -174.7 | 0 | 0 | 0 | 0 | 111.8 | D40 V41 M42 Y46 K47 D48 | D40-S44 WeakPolarHBondContact O-CB 3.29Å; D40-S44 PolarHBondContact O-N 3.44Å; V41-S44 PolarHBondContact O-N 3.33Å; M42-S44 PolarHBondContact O-N 3.25Å; S44-Y46 PolarHBondContact O-N 3.44Å; S44-K47 PolarHBondContact O-N 3.35Å; S44-D48 PolarHBondContact O-N 3.15Å |
| 45 | I | 88.8 | Confident | 83 | Confident | 9 Ų | 9 | 85 Ų | 85 | 5% | 0.046 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -67 | -38.2 | -179 | -65.7 | 171 | 0 | 0 | 0 | 111.4 | V41 M42 D43 D48 A49 L111 L115 M128 V129 | V41-I45 HydrophobicContact CG1-CD1 3.81Å; V41-I45 VanDerWaalsContact O-CG1 3.25Å; V41-I45 WeakPolarHBondContact O-CG1 3.46Å; V41-I45 PolarHBondContact O-N 3.01Å; V41-I45 VanDerWaalsContact O-N 3.07Å; M42-I45 PolarHBondContact O-N 2.95Å; D43-I45 PolarHBondContact O-N 3.11Å; I45-D48 PolarHBondContact O-N 3.17Å; I45-A49 VanDerWaalsContact O-CB 3.24Å; I45-A49 WeakPolarHBondContact O-CB 3.49Å; I45-A49 PolarHBondContact O-N 2.9Å; I45-L111 HydrophobicContact CD1-CD2 3.62Å; I45-L111 HydrophobicContact CG1-CD2 4.01Å; I45-L115 HydrophobicContact CD1-CD1 4.47Å; I45-M128 HydrophobicContact CB-CE 4.12Å; I45-M128 HydrophobicContact CD1-CE 4.34Å; I45-M128 HydrophobicContact CG2-CE 4.04Å; I45-V129 HydrophobicContact CD1-CB 4.46Å; I45-V129 HydrophobicContact CD1-CG1 4.4Å; I45-V129 HydrophobicContact CD1-CG2 3.25Å; I45-V129 HydrophobicContact CG1-CG2 4.47Å; I45-V129 HydrophobicContact CG2-CG2 4.2Å |
| 46 | Y | 90.3 | Very high | 85 | Confident | 100 Ų | 100 | 80 Ų | 80 | 39% | 0.392 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -62.4 | -42.4 | 174.2 | -85.9 | -63.6 | 0 | 0 | 0 | 112.3 | M42 D43 S44 A49 Q50 M128 | M42-Y46 WeakPolarHBondContact O-CD2 3.26Å; M42-Y46 PolarHBondContact O-N 2.88Å; D43-Y46 PolarHBondContact O-N 3.48Å; S44-Y46 PolarHBondContact O-N 3.44Å; Y46-A49 PolarHBondContact O-N 3.19Å; Y46-Q50 WeakPolarHBondContact O-CB 3.44Å; Y46-Q50 VanDerWaalsContact O-CG 3.29Å; Y46-Q50 WeakPolarHBondContact O-CG 3.29Å; Y46-Q50 PolarHBondContact O-N 2.77Å; Y46-M128 HydrophobicContact CD2-SD 3.86Å; Y46-M128 HydrophobicContact CE1-SD 4.49Å; Y46-M128 HydrophobicContact CE2-CE 4.46Å; Y46-M128 HydrophobicContact CE2-CG 4.05Å; Y46-M128 HydrophobicContact CE2-SD 3.15Å; Y46-M128 WeakPolarHBondContact CE2-SD 3.39Å; Y46-M128 VanDerWaalsContact CZ-SD 3.52Å; Y46-M128 WeakPolarHBondContact OH-CG 3.2Å |
| 47 | K | 92.6 | Very high | 86.8 | Confident | 116 Ų | 116 | 78 Ų | 78 | 50% | 0.504 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -62.5 | -44.6 | 176.3 | -74.6 | 167.7 | 177.4 | 165.2 | 0 | 111.3 | D43 S44 Q50 M51 | D43-K47 WeakPolarHBondContact O-CG 3.35Å; D43-K47 PolarHBondContact O-N 2.92Å; D43-K47 IonicContact OD1-NZ 2.62Å; D43-K47 WeakPolarHBondContact OD2-CE 3.37Å; D43-K47 IonicContact OD2-NZ 3.74Å; D43-K47 PolarHBondContact OD2-NZ 3.47Å; S44-K47 PolarHBondContact O-N 3.35Å; K47-Q50 PolarHBondContact O-N 2.6Å; K47-M51 WeakPolarHBondContact O-CB 3.46Å; K47-M51 PolarHBondContact O-N 2.89Å |
| 48 | D | 92.1 | Very high | 88.6 | Confident | 75 Ų | 75 | 72.6 Ų | 72.6 | 40% | 0.401 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -63.3 | -44.1 | 176.5 | -80.5 | -6.6 | 0 | 0 | 0 | 111.7 | S44 I45 Q50 M51 M52 | S44-D48 PolarHBondContact O-N 3.15Å; I45-D48 PolarHBondContact O-N 3.17Å; D48-Q50 PolarHBondContact O-N 2.84Å; D48-M51 PolarHBondContact O-N 3Å; D48-M52 PolarHBondContact O-N 3.14Å |
| 49 | A | 92.6 | Very high | 90.1 | Very high | 1 Ų | 1 | 71.5 Ų | 71.5 | 1% | 0.008 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -60 | -45.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | I45 Y46 M51 M52 R53 Q132 L136 | I45-A49 VanDerWaalsContact O-CB 3.24Å; I45-A49 WeakPolarHBondContact O-CB 3.49Å; I45-A49 PolarHBondContact O-N 2.9Å; Y46-A49 PolarHBondContact O-N 3.19Å; A49-M51 VanDerWaalsContact C-N 3.33Å; A49-M51 PolarHBondContact O-N 3.09Å; A49-M52 PolarHBondContact O-N 3.28Å; A49-R53 WeakPolarHBondContact O-CG 3.33Å; A49-R53 PolarHBondContact O-N 3.08Å; A49-Q132 HydrophobicContact CB-CB 4.44Å; A49-Q132 HydrophobicContact CB-CG 4.36Å; A49-L136 HydrophobicContact CB-CD1 3.8Å |
| 50 | Q | 93.6 | Very high | 91.3 | Very high | 114 Ų | 114 | 67 Ų | 67 | 53% | 0.533 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -63.3 | -39.7 | 175.9 | -74.8 | -179.1 | 7.4 | 0 | 0 | 112.2 | Y46 K47 D48 R53 K54 | Y46-Q50 WeakPolarHBondContact O-CB 3.44Å; Y46-Q50 VanDerWaalsContact O-CG 3.29Å; Y46-Q50 WeakPolarHBondContact O-CG 3.29Å; Y46-Q50 PolarHBondContact O-N 2.77Å; K47-Q50 PolarHBondContact O-N 2.6Å; D48-Q50 PolarHBondContact O-N 2.84Å; Q50-R53 PolarHBondContact O-N 3.34Å; Q50-K54 WeakPolarHBondContact O-CG 3.5Å; Q50-K54 PolarHBondContact O-N 2.74Å; Q50-K54 VanDerWaalsContact O-N 3.07Å |
| 51 | M | 94.7 | Very high | 92 | Very high | 88 Ų | 88 | 65 Ų | 65 | 43% | 0.433 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -63.4 | -46 | 175.9 | -168.6 | -180 | -63.9 | 0 | 0 | 110.8 | K47 D48 A49 R53 K54 E55 R104 | K47-M51 WeakPolarHBondContact O-CB 3.46Å; K47-M51 PolarHBondContact O-N 2.89Å; D48-M51 PolarHBondContact O-N 3Å; A49-M51 VanDerWaalsContact C-N 3.33Å; A49-M51 PolarHBondContact O-N 3.09Å; M51-R53 PolarHBondContact O-N 3.34Å; M51-K54 WeakPolarHBondContact O-CB 3.4Å; M51-K54 PolarHBondContact O-N 2.92Å; M51-K54 VanDerWaalsContact O-N 3.16Å; M51-E55 WeakPolarHBondContact O-CG 3.26Å; M51-E55 PolarHBondContact O-N 2.99Å; M51-R104 PolarHBondContact SD-NH1 3.17Å |
| 52 | M | 95.3 | Very high | 92.7 | Very high | 5 Ų | 5 | 63.2 Ų | 63.2 | 3% | 0.025 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -60.3 | -42.7 | 175.4 | -75.5 | -172.2 | -81.8 | 0 | 0 | 112.5 | D48 A49 K54 E55 M56 R104 L105 M108 L136 | D48-M52 PolarHBondContact O-N 3.14Å; A49-M52 PolarHBondContact O-N 3.28Å; M52-K54 VanDerWaalsContact C-N 3.29Å; M52-K54 PolarHBondContact O-N 3.02Å; M52-E55 PolarHBondContact O-N 3.22Å; M52-M56 HydrophobicContact CB-CE 4.37Å; M52-M56 VanDerWaalsContact O-CG 3.29Å; M52-M56 WeakPolarHBondContact O-CG 3.44Å; M52-M56 PolarHBondContact O-N 3.4Å; M52-R104 HydrophobicContact CG-CB 4.2Å; M52-R104 HydrophobicContact SD-CB 3.56Å; M52-R104 VanDerWaalsContact SD-CB 3.56Å; M52-L105 HydrophobicContact SD-CD2 4.5Å; M52-M108 HydrophobicContact CE-CE 3.72Å; M52-M108 HydrophobicContact CE-SD 3.78Å; M52-M108 HydrophobicContact SD-CE 4.42Å; M52-L136 HydrophobicContact CB-CD2 3.91Å; M52-L136 HydrophobicContact CE-CD1 3.68Å; M52-L136 HydrophobicContact SD-CD1 4.43Å |
| 53 | R | 94.4 | Very high | 93.3 | Very high | 94 Ų | 94 | 61 Ų | 61 | 36% | 0.355 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -58.4 | -41.3 | 174.5 | -70.8 | 178.3 | -171.7 | -93.1 | -2.3 | 111.9 | A49 Q50 M51 M56 L57 Q132 S135 L136 | A49-R53 WeakPolarHBondContact O-CG 3.33Å; A49-R53 PolarHBondContact O-N 3.08Å; Q50-R53 PolarHBondContact O-N 3.34Å; M51-R53 PolarHBondContact O-N 3.34Å; R53-M56 PolarHBondContact O-N 2.87Å; R53-L57 WeakPolarHBondContact O-CG 3.45Å; R53-L57 PolarHBondContact O-N 3.44Å; R53-Q132 VanDerWaalsContact NH2-OE1 3.07Å; R53-S135 PolarHBondContact NH2-OG 3.1Å; R53-L136 HydrophobicContact CG-CD2 3.59Å |
| 54 | K | 95.2 | Very high | 93.5 | Very high | 133 Ų | 133 | 63 Ų | 63 | 58% | 0.578 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -64.7 | -44.6 | 176.1 | -71.2 | 173.4 | -177 | 175.7 | 0 | 111.6 | Q50 M51 M52 M56 L57 L58 | Q50-K54 WeakPolarHBondContact O-CG 3.5Å; Q50-K54 PolarHBondContact O-N 2.74Å; Q50-K54 VanDerWaalsContact O-N 3.07Å; M51-K54 WeakPolarHBondContact O-CB 3.4Å; M51-K54 PolarHBondContact O-N 2.92Å; M51-K54 VanDerWaalsContact O-N 3.16Å; M52-K54 VanDerWaalsContact C-N 3.29Å; M52-K54 PolarHBondContact O-N 3.02Å; K54-M56 VanDerWaalsContact C-N 3.34Å; K54-M56 PolarHBondContact O-N 3.33Å; K54-L57 WeakPolarHBondContact O-CB 3.45Å; K54-L57 PolarHBondContact O-N 3Å; K54-L58 WeakPolarHBondContact O-CG 3.4Å; K54-L58 PolarHBondContact O-N 3.3Å |
| 55 | E | 95.2 | Very high | 93.7 | Very high | 53 Ų | 53 | 67.1 Ų | 67.1 | 25% | 0.248 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -60.9 | -41.8 | 176.2 | -70.3 | -59.8 | 138.9 | 0 | 0 | 112.1 | M51 M52 L57 L58 L59 R97 I101 | M51-E55 WeakPolarHBondContact O-CG 3.26Å; M51-E55 PolarHBondContact O-N 2.99Å; M52-E55 PolarHBondContact O-N 3.22Å; E55-L57 VanDerWaalsContact C-N 3.34Å; E55-L57 PolarHBondContact O-N 3Å; E55-L58 PolarHBondContact O-N 3.47Å; E55-L59 PolarHBondContact O-N 2.97Å; E55-R97 WeakPolarHBondContact O-CD 3.3Å; E55-R97 IonicContact OE2-CZ 3.46Å; E55-R97 IonicContact OE2-NH1 3.58Å; E55-R97 PolarHBondContact OE2-NH1 2.63Å; E55-I101 HydrophobicContact CB-CD1 4.02Å; E55-I101 HydrophobicContact CB-CG1 4.01Å |
| 56 | M | 94.8 | Very high | 93.8 | Very high | 6 Ų | 6 | 66.7 Ų | 66.7 | 3% | 0.03 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.3 | -38.4 | 174.9 | -67.8 | 170.3 | -172 | 0 | 0 | 112.1 | M52 R53 K54 L59 K60 I101 L105 L136 A139 F140 | M52-M56 HydrophobicContact CB-CE 4.37Å; M52-M56 VanDerWaalsContact O-CG 3.29Å; M52-M56 WeakPolarHBondContact O-CG 3.44Å; M52-M56 PolarHBondContact O-N 3.4Å; R53-M56 PolarHBondContact O-N 2.87Å; K54-M56 VanDerWaalsContact C-N 3.34Å; K54-M56 PolarHBondContact O-N 3.33Å; M56-L59 WeakPolarHBondContact O-CB 3.43Å; M56-L59 PolarHBondContact O-N 3.4Å; M56-K60 WeakPolarHBondContact O-CG 3.47Å; M56-K60 PolarHBondContact O-N 3.31Å; M56-I101 HydrophobicContact CE-CG2 3.55Å; M56-I101 HydrophobicContact CG-CD1 4.03Å; M56-I101 HydrophobicContact CG-CG2 4.25Å; M56-L105 HydrophobicContact CE-CD1 4.46Å; M56-L136 HydrophobicContact CE-CB 4.11Å; M56-L136 HydrophobicContact CE-CD2 3.83Å; M56-L136 WeakPolarHBondContact CE-O 3.5Å; M56-L136 HydrophobicContact SD-CD2 4.05Å; M56-A139 HydrophobicContact SD-CB 3.8Å; M56-F140 HydrophobicContact CE-CB 3.84Å; M56-F140 HydrophobicContact SD-CB 4.39Å |
| 57 | L | 94.9 | Very high | 93.8 | Very high | 110 Ų | 110 | 63 Ų | 63 | 58% | 0.576 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -65.1 | -41.7 | 174 | -72.1 | 167.4 | 0 | 0 | 0 | 111.7 | R53 K54 E55 L59 K60 L61 | R53-L57 WeakPolarHBondContact O-CG 3.45Å; R53-L57 PolarHBondContact O-N 3.44Å; K54-L57 WeakPolarHBondContact O-CB 3.45Å; K54-L57 PolarHBondContact O-N 3Å; E55-L57 VanDerWaalsContact C-N 3.34Å; E55-L57 PolarHBondContact O-N 3Å; L57-L59 VanDerWaalsContact C-N 3.34Å; L57-K60 PolarHBondContact O-N 3.43Å; L57-L61 WeakPolarHBondContact O-CG 3.38Å; L57-L61 PolarHBondContact O-N 3.24Å |
| 58 | L | 94.5 | Very high | 93.6 | Very high | 73 Ų | 73 | 64.5 Ų | 64.5 | 38% | 0.382 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62.7 | -41.8 | 174.6 | -68.6 | 175.6 | 0 | 0 | 0 | 111.3 | K54 E55 K60 L61 D62 | K54-L58 WeakPolarHBondContact O-CG 3.4Å; K54-L58 PolarHBondContact O-N 3.3Å; E55-L58 PolarHBondContact O-N 3.47Å; L58-K60 PolarHBondContact O-N 3.11Å; L58-L61 HydrophobicContact CD2-CD1 4.44Å; L58-L61 WeakPolarHBondContact O-CB 3.31Å; L58-L61 PolarHBondContact O-N 3.23Å; L58-L61 VanDerWaalsContact O-N 3.14Å; L58-D62 PolarHBondContact O-N 3.49Å |
| 59 | L | 94.7 | Very high | 93.4 | Very high | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -54.5 | -51.6 | 173.6 | -168.3 | 70.8 | 0 | 0 | 0 | 111.1 | E55 M56 L57 L61 D62 V63 I94 R97 I101 F140 A143 I144 | E55-L59 PolarHBondContact O-N 2.97Å; M56-L59 WeakPolarHBondContact O-CB 3.43Å; M56-L59 PolarHBondContact O-N 3.4Å; L57-L59 VanDerWaalsContact C-N 3.34Å; L59-L61 VanDerWaalsContact C-N 3.29Å; L59-L61 PolarHBondContact O-N 3.39Å; L59-D62 PolarHBondContact O-N 3.06Å; L59-D62 VanDerWaalsContact O-N 3.17Å; L59-V63 VanDerWaalsContact O-CG2 3.31Å; L59-V63 WeakPolarHBondContact O-CG2 3.41Å; L59-V63 PolarHBondContact O-N 3.25Å; L59-I94 HydrophobicContact CD1-CB 4.21Å; L59-I94 HydrophobicContact CD1-CG2 3.66Å; L59-I94 WeakPolarHBondContact CD1-O 3.39Å; L59-R97 HydrophobicContact CD1-CB 3.99Å; L59-R97 HydrophobicContact CD1-CG 4.25Å; L59-I101 HydrophobicContact CD2-CD1 4.22Å; L59-F140 HydrophobicContact CD2-CE2 4.24Å; L59-A143 HydrophobicContact CD2-CB 3.98Å; L59-I144 HydrophobicContact CD2-CD1 4.06Å |
| 60 | K | 94.8 | Very high | 93.1 | Very high | 32 Ų | 32 | 62.4 Ų | 62.4 | 14% | 0.139 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60.3 | -37.5 | 177.7 | -69.4 | -171 | -180 | -152.7 | 0 | 112.3 | M56 L57 L58 K64 E142 A143 E146 | M56-K60 WeakPolarHBondContact O-CG 3.47Å; M56-K60 PolarHBondContact O-N 3.31Å; L57-K60 PolarHBondContact O-N 3.43Å; L58-K60 PolarHBondContact O-N 3.11Å; K60-K64 WeakPolarHBondContact O-CG 3.36Å; K60-K64 PolarHBondContact O-N 3.24Å; K60-E142 IonicContact NZ-OE1 2.59Å; K60-E142 PolarHBondContact NZ-OE1 3.29Å; K60-E142 IonicContact NZ-OE2 2.87Å; K60-E142 PolarHBondContact NZ-OE2 3.34Å; K60-A143 HydrophobicContact CD-CB 4.39Å; K60-A143 HydrophobicContact CG-CB 3.79Å; K60-E146 WeakPolarHBondContact CD-OE1 3.31Å; K60-E146 VanDerWaalsContact CE-OE1 3.23Å; K60-E146 WeakPolarHBondContact CE-OE1 3.33Å; K60-E146 IonicContact NZ-OE1 3.81Å; K60-E146 PolarHBondContact NZ-OE1 2.96Å |
| 61 | L | 94.8 | Very high | 92.7 | Very high | 103 Ų | 103 | 60.8 Ų | 60.8 | 54% | 0.539 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -67.5 | -41.8 | 175.8 | -71.9 | 173.2 | 0 | 0 | 0 | 112 | L57 L58 L59 K64 R65 | L57-L61 WeakPolarHBondContact O-CG 3.38Å; L57-L61 PolarHBondContact O-N 3.24Å; L58-L61 HydrophobicContact CD2-CD1 4.44Å; L58-L61 WeakPolarHBondContact O-CB 3.31Å; L58-L61 PolarHBondContact O-N 3.23Å; L58-L61 VanDerWaalsContact O-N 3.14Å; L59-L61 VanDerWaalsContact C-N 3.29Å; L59-L61 PolarHBondContact O-N 3.39Å; L61-K64 PolarHBondContact O-N 2.89Å; L61-R65 WeakPolarHBondContact O-CB 3.27Å; L61-R65 PolarHBondContact O-N 2.92Å |
| 62 | D | 94.4 | Very high | 92.2 | Very high | 24 Ų | 24 | 62.9 Ų | 62.9 | 13% | 0.128 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.3 | -43.2 | 177 | -71.4 | -26 | 0 | 0 | 0 | 110.7 | L58 L59 K64 R65 M66 I94 R97 | L58-D62 PolarHBondContact O-N 3.49Å; L59-D62 PolarHBondContact O-N 3.06Å; L59-D62 VanDerWaalsContact O-N 3.17Å; D62-K64 PolarHBondContact O-N 3.16Å; D62-R65 WeakPolarHBondContact O-CB 3.28Å; D62-R65 PolarHBondContact O-N 3.04Å; D62-M66 WeakPolarHBondContact O-CB 3.18Å; D62-M66 PolarHBondContact O-N 3.34Å; D62-I94 HydrophobicContact CB-CD1 4.13Å; D62-I94 HydrophobicContact CB-CG1 3.65Å; D62-R97 IonicContact OD2-CZ 3.51Å; D62-R97 IonicContact OD2-NE 3.56Å; D62-R97 PolarHBondContact OD2-NE 3.48Å; D62-R97 IonicContact OD2-NH2 2.7Å; D62-R97 PolarHBondContact OD2-NH2 3.27Å |
| 63 | V | 93.9 | Very high | 91.4 | Very high | 4 Ų | 4 | 63 Ų | 63 | 2% | 0.024 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -57.3 | -50.4 | 173.3 | 170.5 | 0 | 0 | 0 | 0 | 111.1 | L59 R65 M66 G67 I94 F147 A150 | L59-V63 VanDerWaalsContact O-CG2 3.31Å; L59-V63 WeakPolarHBondContact O-CG2 3.41Å; L59-V63 PolarHBondContact O-N 3.25Å; V63-R65 VanDerWaalsContact C-N 3.28Å; V63-R65 PolarHBondContact O-N 3.01Å; V63-M66 PolarHBondContact O-N 2.97Å; V63-G67 PolarHBondContact O-N 2.92Å; V63-I94 HydrophobicContact CG2-CD1 3.96Å; V63-I94 HydrophobicContact CG2-CG1 4.4Å; V63-I94 HydrophobicContact CG2-CG2 4.14Å; V63-F147 HydrophobicContact CG1-CB 4.34Å; V63-F147 HydrophobicContact CG1-CD2 4.41Å; V63-F147 HydrophobicContact CG2-CB 3.68Å; V63-F147 HydrophobicContact CG2-CD2 3.84Å; V63-F147 HydrophobicContact CG2-CG 3.88Å; V63-A150 HydrophobicContact CG1-CB 3.95Å |
| 64 | K | 93.6 | Very high | 90.5 | Very high | 121 Ų | 121 | 59.3 Ų | 59.3 | 53% | 0.526 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -61.5 | -37.7 | 177.3 | -74 | 175.2 | -177.3 | 175.8 | 0 | 112 | K60 L61 D62 K68 | K60-K64 WeakPolarHBondContact O-CG 3.36Å; K60-K64 PolarHBondContact O-N 3.24Å; L61-K64 PolarHBondContact O-N 2.89Å; D62-K64 PolarHBondContact O-N 3.16Å; K64-K68 WeakPolarHBondContact O-CG 3.28Å; K64-K68 PolarHBondContact O-N 3.46Å; K64-K68 VanDerWaalsContact O-N 3.15Å |
| 65 | R | 92.8 | Very high | 89.7 | Confident | 149 Ų | 149 | 57.9 Ų | 57.9 | 56% | 0.562 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -66.5 | -44 | 177 | -168.4 | -178.2 | -158.4 | -172.8 | 4.7 | 111.2 | L61 D62 V63 K68 Q69 L90 | L61-R65 WeakPolarHBondContact O-CB 3.27Å; L61-R65 PolarHBondContact O-N 2.92Å; D62-R65 WeakPolarHBondContact O-CB 3.28Å; D62-R65 PolarHBondContact O-N 3.04Å; V63-R65 VanDerWaalsContact C-N 3.28Å; V63-R65 PolarHBondContact O-N 3.01Å; R65-K68 WeakPolarHBondContact O-CB 3.4Å; R65-K68 PolarHBondContact O-N 2.7Å; R65-Q69 WeakPolarHBondContact O-CG 3.47Å; R65-Q69 PolarHBondContact O-N 3.1Å; R65-L90 HydrophobicContact CB-CD1 4.34Å; R65-L90 HydrophobicContact CG-CD1 4.01Å |
| 66 | M | 91.1 | Very high | 88.7 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.7 | -46.8 | 176.7 | -172.9 | -169.6 | 64.1 | 0 | 0 | 110.7 | D62 V63 K68 Q69 N70 L90 I94 F147 E151 | D62-M66 WeakPolarHBondContact O-CB 3.18Å; D62-M66 PolarHBondContact O-N 3.34Å; V63-M66 PolarHBondContact O-N 2.97Å; M66-K68 VanDerWaalsContact C-N 3.28Å; M66-K68 PolarHBondContact O-N 2.82Å; M66-Q69 PolarHBondContact O-N 3.04Å; M66-N70 WeakPolarHBondContact O-CB 3.44Å; M66-N70 PolarHBondContact O-N 3.18Å; M66-L90 HydrophobicContact CB-CB 4.1Å; M66-L90 HydrophobicContact CB-CD1 4.15Å; M66-L90 HydrophobicContact CG-CB 4.24Å; M66-I94 HydrophobicContact CB-CD1 4.21Å; M66-I94 HydrophobicContact CE-CD1 4.26Å; M66-I94 HydrophobicContact SD-CD1 3.92Å; M66-F147 HydrophobicContact CE-CD2 3.87Å; M66-F147 HydrophobicContact CE-CE2 3.47Å; M66-F147 VanDerWaalsContact CE-CE2 3.47Å; M66-F147 HydrophobicContact SD-CE2 4.14Å; M66-E151 HydrophobicContact CE-CG 4.29Å; M66-E151 WeakPolarHBondContact CE-OE1 3.39Å |
| 67 | G | 89.3 | Confident | 87.3 | Confident | 22 Ų | 22 | 62.9 Ų | 62.9 | 23% | 0.227 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -56.5 | -39.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | V63 N70 T71 | V63-G67 PolarHBondContact O-N 2.92Å; G67-N70 PolarHBondContact O-N 3.44Å; G67-T71 WeakPolarHBondContact O-CB 3.39Å; G67-T71 PolarHBondContact O-N 3.43Å; G67-T71 PolarHBondContact O-OG1 3.42Å |
| 68 | K | 89.5 | Confident | 85.8 | Confident | 147 Ų | 147 | 67.3 Ų | 67.3 | 64% | 0.639 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -65.2 | -41.7 | 172.8 | -71.3 | 175.7 | -176 | -179.1 | 0 | 112.4 | K64 R65 M66 T71 R72 | K64-K68 WeakPolarHBondContact O-CG 3.28Å; K64-K68 PolarHBondContact O-N 3.46Å; K64-K68 VanDerWaalsContact O-N 3.15Å; R65-K68 WeakPolarHBondContact O-CB 3.4Å; R65-K68 PolarHBondContact O-N 2.7Å; M66-K68 VanDerWaalsContact C-N 3.28Å; M66-K68 PolarHBondContact O-N 2.82Å; K68-T71 PolarHBondContact O-N 3.47Å; K68-R72 WeakPolarHBondContact O-CB 3.35Å; K68-R72 VanDerWaalsContact O-CG 3.27Å; K68-R72 WeakPolarHBondContact O-CG 3.48Å; K68-R72 PolarHBondContact O-N 2.92Å |
| 69 | Q | 87.4 | Confident | 84.4 | Confident | 26 Ų | 26 | 73.2 Ų | 73.2 | 12% | 0.121 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -66.1 | -41.6 | 176.7 | -64.8 | -61.9 | -0.3 | 0 | 0 | 111.6 | R65 M66 T71 R72 F73 I83 A87 L90 | R65-Q69 WeakPolarHBondContact O-CG 3.47Å; R65-Q69 PolarHBondContact O-N 3.1Å; M66-Q69 PolarHBondContact O-N 3.04Å; Q69-T71 PolarHBondContact O-N 3.14Å; Q69-R72 CarbonylContact O-C 3.59Å; Q69-R72 WeakPolarHBondContact O-CB 3.44Å; Q69-R72 PolarHBondContact O-N 3.43Å; Q69-F73 WeakPolarHBondContact O-CB 3.12Å; Q69-F73 PolarHBondContact O-N 2.61Å; Q69-I83 HydrophobicContact CB-CG2 4.31Å; Q69-I83 WeakPolarHBondContact O-CG2 3.33Å; Q69-A87 HydrophobicContact CB-CB 4.32Å; Q69-L90 HydrophobicContact CG-CD1 4.23Å |
| 70 | N | 86.4 | Confident | 83.4 | Confident | 7 Ų | 7 | 77.1 Ų | 77.1 | 4% | 0.037 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -59.7 | -45.9 | 175.1 | -75.1 | -1.8 | 0 | 0 | 0 | 111.3 | M66 G67 R72 F73 L74 A87 Q154 | M66-N70 WeakPolarHBondContact O-CB 3.44Å; M66-N70 PolarHBondContact O-N 3.18Å; G67-N70 PolarHBondContact O-N 3.44Å; N70-R72 PolarHBondContact O-N 3.25Å; N70-F73 WeakPolarHBondContact O-CB 3.45Å; N70-F73 PolarHBondContact O-N 3.31Å; N70-F73 VanDerWaalsContact O-N 3.17Å; N70-L74 WeakPolarHBondContact O-CG 3.38Å; N70-L74 PolarHBondContact O-N 2.9Å; N70-A87 VanDerWaalsContact OD1-CB 3.3Å; N70-A87 WeakPolarHBondContact OD1-CB 3.42Å; N70-Q154 HydrophobicContact CB-CG 4.26Å |
| 71 | T | 85.4 | Confident | 82.5 | Confident | 79 Ų | 79 | 79.4 Ų | 79.4 | 49% | 0.485 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61.8 | -42.3 | 175 | -54.9 | 0 | 0 | 0 | 0 | 112.1 | G67 K68 Q69 F73 L74 T75 | G67-T71 WeakPolarHBondContact O-CB 3.39Å; G67-T71 PolarHBondContact O-N 3.43Å; G67-T71 PolarHBondContact O-OG1 3.42Å; K68-T71 PolarHBondContact O-N 3.47Å; Q69-T71 PolarHBondContact O-N 3.14Å; T71-F73 VanDerWaalsContact C-N 3.31Å; T71-F73 PolarHBondContact O-N 3.39Å; T71-L74 PolarHBondContact O-N 3.48Å; T71-T75 PolarHBondContact O-N 3.36Å; T71-T75 PolarHBondContact O-OG1 3.35Å |
| 72 | R | 84.1 | Confident | 81.9 | Confident | 133 Ų | 133 | 76.3 Ų | 76.3 | 50% | 0.502 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -65.1 | -35.9 | 175.4 | -74.2 | 175.2 | 72 | -157.4 | 9.3 | 112.3 | K68 Q69 N70 L74 T75 S76 | K68-R72 WeakPolarHBondContact O-CB 3.35Å; K68-R72 VanDerWaalsContact O-CG 3.27Å; K68-R72 WeakPolarHBondContact O-CG 3.48Å; K68-R72 PolarHBondContact O-N 2.92Å; Q69-R72 CarbonylContact O-C 3.59Å; Q69-R72 WeakPolarHBondContact O-CB 3.44Å; Q69-R72 PolarHBondContact O-N 3.43Å; N70-R72 PolarHBondContact O-N 3.25Å; R72-L74 VanDerWaalsContact C-N 3.31Å; R72-T75 PolarHBondContact O-N 3.05Å; R72-T75 PolarHBondContact O-OG1 2.93Å; R72-S76 WeakPolarHBondContact O-CB 3.28Å; R72-S76 PolarHBondContact O-N 3.44Å |
| 73 | F | 79.2 | Confident | 81.3 | Confident | 7 Ų | 7 | 75.7 Ų | 75.7 | 3% | 0.031 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -65 | -39.1 | 177.7 | -178.5 | -108.6 | 0 | 0 | 0 | 111.4 | Q69 N70 T71 F80 I83 K84 E214 | Q69-F73 WeakPolarHBondContact O-CB 3.12Å; Q69-F73 PolarHBondContact O-N 2.61Å; N70-F73 WeakPolarHBondContact O-CB 3.45Å; N70-F73 PolarHBondContact O-N 3.31Å; N70-F73 VanDerWaalsContact O-N 3.17Å; T71-F73 VanDerWaalsContact C-N 3.31Å; T71-F73 PolarHBondContact O-N 3.39Å; F73-F80 HydrophobicContact CD2-CB 4.49Å; F73-F80 AromaticContact CD2-CD1 4Å; F73-F80 HydrophobicContact CD2-CD1 4Å; F73-F80 HydrophobicContact CE2-CB 3.72Å; F73-F80 AromaticContact CE2-CD1 3.63Å; F73-F80 HydrophobicContact CE2-CD1 3.63Å; F73-F80 HydrophobicContact CE2-CG 4.18Å; F73-F80 VanDerWaalsContact CE2-O 3.31Å; F73-F80 WeakPolarHBondContact CE2-O 3.46Å; F73-F80 HydrophobicContact CZ-CD1 4.19Å; F73-I83 HydrophobicContact CB-CG2 3.74Å; F73-I83 HydrophobicContact CD2-CB 4.19Å; F73-I83 HydrophobicContact CD2-CG2 4.26Å; F73-I83 HydrophobicContact CG-CG2 4.46Å; F73-K84 HydrophobicContact CD2-CB 4.33Å; F73-K84 HydrophobicContact CE2-CB 3.85Å; F73-K84 HydrophobicContact CZ-CB 4.28Å; F73-K84 HydrophobicContact CZ-CD 4.49Å; F73-E214 WeakPolarHBondContact CE1-OE2 3.28Å |
| 74 | L | 74.7 | Confident | 80.8 | Confident | 16 Ų | 16 | 77.8 Ų | 77.8 | 8% | 0.084 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -62.8 | -53.1 | 171.5 | -62 | 169.5 | 0 | 0 | 0 | 110.1 | N70 T71 R72 S76 N157 R161 | N70-L74 WeakPolarHBondContact O-CG 3.38Å; N70-L74 PolarHBondContact O-N 2.9Å; T71-L74 PolarHBondContact O-N 3.48Å; R72-L74 VanDerWaalsContact C-N 3.31Å; L74-S76 PolarHBondContact O-N 3.41Å; L74-N157 HydrophobicContact CD1-CB 3.62Å; L74-N157 HydrophobicContact CD2-CB 4.39Å; L74-R161 PolarHBondContact O-NH1 2.93Å; L74-R161 PolarHBondContact O-NH2 3.18Å |
| 75 | T | 79.1 | Confident | 80.4 | Confident | 103 Ų | 103 | 80 Ų | 80 | 63% | 0.632 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -78 | -19.5 | -171 | 56.5 | 0 | 0 | 0 | 0 | 115 | T71 R72 | T71-T75 PolarHBondContact O-N 3.36Å; T71-T75 PolarHBondContact O-OG1 3.35Å; R72-T75 PolarHBondContact O-N 3.05Å; R72-T75 PolarHBondContact O-OG1 2.93Å |
| 76 | S | 73.2 | Confident | 80.1 | Confident | 36 Ų | 36 | 76.9 Ų | 76.9 | 25% | 0.252 | 37% | 0.373 | S | S | . | . | trans | -76.6 | 143.4 | -177 | -168.6 | 0 | 0 | 0 | 0 | 112.4 | R72 L74 R78 F80 | R72-S76 WeakPolarHBondContact O-CB 3.28Å; R72-S76 PolarHBondContact O-N 3.44Å; L74-S76 PolarHBondContact O-N 3.41Å; S76-R78 PolarHBondContact OG-N 3.31Å; S76-R78 PolarHBondContact OG-O 3.18Å; S76-F80 WeakPolarHBondContact O-CE1 3.47Å; S76-F80 WeakPolarHBondContact O-CZ 2.99Å | ||
| 77 | V | 65.7 | Low | 79.9 | Confident | 128 Ų | 128 | 77.1 Ų | 77.1 | 78% | 0.776 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -101.4 | -3.1 | 173.6 | -170.8 | 0 | 0 | 0 | 0 | 111.2 | F80 | V77-F80 WeakPolarHBondContact O-CE2 3.37Š|
| 78 | R | 63 | Low | 79.9 | Confident | 204 Ų | 204 | 77.6 Ų | 77.6 | 77% | 0.77 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -140.4 | 160.4 | -177.3 | -62.6 | -177.9 | -179.4 | 166.6 | -0 | 111.2 | S76 F80 | S76-R78 PolarHBondContact OG-N 3.31Å; S76-R78 PolarHBondContact OG-O 3.18Å; R78-F80 PolarHBondContact O-N 3.42Å |
| 79 | R | 66 | Low | 79.9 | Confident | 196 Ų | 196 | 72 Ų | 72 | 74% | 0.74 | 35% | 0.353 | S | S | * | . | trans | 60.1 | 34.9 | 175.8 | -47.7 | -169.2 | -155.9 | 171.2 | 6 | 116.2 | S81 S82 I83 | R79-S81 VanDerWaalsContact C-N 3.29Å; R79-S81 PolarHBondContact O-N 3.17Å; R79-S82 PolarHBondContact O-N 3.48Å; R79-S82 PolarHBondContact O-OG 3.1Å; R79-I83 WeakPolarHBondContact O-CG1 3.31Å; R79-I83 PolarHBondContact O-N 3.46Å | ||
| 80 | F | 72.9 | Confident | 80.2 | Confident | 83 Ų | 83 | 71.5 Ų | 71.5 | 36% | 0.364 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -53.8 | -43.2 | 177 | -65.5 | -73.9 | 0 | 0 | 0 | 113.2 | F73 S76 V77 R78 S82 K84 | F73-F80 HydrophobicContact CD2-CB 4.49Å; F73-F80 AromaticContact CD2-CD1 4Å; F73-F80 HydrophobicContact CD2-CD1 4Å; F73-F80 HydrophobicContact CE2-CB 3.72Å; F73-F80 AromaticContact CE2-CD1 3.63Å; F73-F80 HydrophobicContact CE2-CD1 3.63Å; F73-F80 HydrophobicContact CE2-CG 4.18Å; F73-F80 VanDerWaalsContact CE2-O 3.31Å; F73-F80 WeakPolarHBondContact CE2-O 3.46Å; F73-F80 HydrophobicContact CZ-CD1 4.19Å; S76-F80 WeakPolarHBondContact O-CE1 3.47Å; S76-F80 WeakPolarHBondContact O-CZ 2.99Å; V77-F80 WeakPolarHBondContact O-CE2 3.37Å; R78-F80 PolarHBondContact O-N 3.42Å; F80-S82 PolarHBondContact O-N 2.92Å; F80-K84 VanDerWaalsContact O-CB 3.22Å; F80-K84 WeakPolarHBondContact O-CB 3.46Å; F80-K84 PolarHBondContact O-N 2.86Å |
| 81 | S | 77.1 | Confident | 80.4 | Confident | 79 Ų | 79 | 71.3 Ų | 71.3 | 55% | 0.552 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -70.1 | -26.7 | -174.2 | 62.2 | 0 | 0 | 0 | 0 | 114.9 | R79 R85 | R79-S81 VanDerWaalsContact C-N 3.29Å; R79-S81 PolarHBondContact O-N 3.17Å; S81-R85 WeakPolarHBondContact O-CB 3.46Å; S81-R85 WeakPolarHBondContact O-CG 3.03Å; S81-R85 PolarHBondContact O-N 2.84Å; S81-R85 PolarHBondContact O-NE 3.26Å |
| 82 | S | 82.1 | Confident | 80.6 | Confident | 39 Ų | 39 | 75 Ų | 75 | 27% | 0.273 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -82 | -46.5 | 176.1 | 64.7 | 0 | 0 | 0 | 0 | 110.9 | R79 F80 K84 R85 D86 | R79-S82 PolarHBondContact O-N 3.48Å; R79-S82 PolarHBondContact O-OG 3.1Å; F80-S82 PolarHBondContact O-N 2.92Å; S82-K84 VanDerWaalsContact C-N 3.3Å; S82-K84 PolarHBondContact O-N 3.45Å; S82-R85 PolarHBondContact O-N 3.5Å; S82-R85 VanDerWaalsContact O-N 3.16Å; S82-D86 VanDerWaalsContact O-CG 3.27Å; S82-D86 PolarHBondContact O-N 3.44Å |
| 83 | I | 81.3 | Confident | 81 | Confident | 11 Ų | 11 | 73 Ų | 73 | 6% | 0.056 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -62.4 | -41.5 | -179.8 | -57.7 | 170.5 | 0 | 0 | 0 | 110.3 | Q69 F73 R79 D86 A87 | Q69-I83 HydrophobicContact CB-CG2 4.31Å; Q69-I83 WeakPolarHBondContact O-CG2 3.33Å; F73-I83 HydrophobicContact CB-CG2 3.74Å; F73-I83 HydrophobicContact CD2-CB 4.19Å; F73-I83 HydrophobicContact CD2-CG2 4.26Å; F73-I83 HydrophobicContact CG-CG2 4.46Å; R79-I83 WeakPolarHBondContact O-CG1 3.31Å; R79-I83 PolarHBondContact O-N 3.46Å; I83-D86 PolarHBondContact O-N 2.89Å; I83-A87 PolarHBondContact O-N 2.88Å |
| 84 | K | 82.8 | Confident | 81.7 | Confident | 47 Ų | 47 | 72.7 Ų | 72.7 | 20% | 0.204 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -61.8 | -44.2 | 175.1 | -175.3 | 178.1 | 177.4 | -176.8 | 0 | 112.1 | F73 F80 S82 D86 A87 N88 E217 | F73-K84 HydrophobicContact CD2-CB 4.33Å; F73-K84 HydrophobicContact CE2-CB 3.85Å; F73-K84 HydrophobicContact CZ-CB 4.28Å; F73-K84 HydrophobicContact CZ-CD 4.49Å; F80-K84 VanDerWaalsContact O-CB 3.22Å; F80-K84 WeakPolarHBondContact O-CB 3.46Å; F80-K84 PolarHBondContact O-N 2.86Å; S82-K84 VanDerWaalsContact C-N 3.3Å; S82-K84 PolarHBondContact O-N 3.45Å; K84-D86 VanDerWaalsContact C-N 3.32Å; K84-D86 PolarHBondContact O-N 2.8Å; K84-A87 PolarHBondContact O-N 3.3Å; K84-N88 WeakPolarHBondContact O-CB 2.75Å; K84-N88 PolarHBondContact O-N 3.23Å; K84-E217 VanDerWaalsContact CE-OE1 3.27Å; K84-E217 WeakPolarHBondContact CE-OE1 3.49Å; K84-E217 WeakPolarHBondContact CE-OE2 3.46Å; K84-E217 IonicContact NZ-OE1 3.79Å; K84-E217 PolarHBondContact NZ-OE1 3.23Å; K84-E217 IonicContact NZ-OE2 3.06Å; K84-E217 PolarHBondContact NZ-OE2 2.95Å |
| 85 | R | 85.4 | Confident | 82.5 | Confident | 168 Ų | 168 | 75 Ų | 75 | 63% | 0.634 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -61.8 | -41.9 | 177.4 | -88.5 | -174.4 | -74.7 | 149.2 | -10.7 | 111.7 | S81 S82 N88 A89 | S81-R85 WeakPolarHBondContact O-CB 3.46Å; S81-R85 WeakPolarHBondContact O-CG 3.03Å; S81-R85 PolarHBondContact O-N 2.84Å; S81-R85 PolarHBondContact O-NE 3.26Å; S82-R85 PolarHBondContact O-N 3.5Å; S82-R85 VanDerWaalsContact O-N 3.16Å; R85-N88 PolarHBondContact O-N 3.24Å; R85-A89 WeakPolarHBondContact O-CB 3.45Å; R85-A89 PolarHBondContact O-N 3.15Å |
| 86 | D | 86.8 | Confident | 83.2 | Confident | 83 Ų | 83 | 72.6 Ų | 72.6 | 44% | 0.444 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -64.5 | -45.2 | 178.1 | -64.2 | -14.3 | 0 | 0 | 0 | 111.2 | S82 I83 K84 N88 A89 L90 | S82-D86 VanDerWaalsContact O-CG 3.27Å; S82-D86 PolarHBondContact O-N 3.44Å; I83-D86 PolarHBondContact O-N 2.89Å; K84-D86 VanDerWaalsContact C-N 3.32Å; K84-D86 PolarHBondContact O-N 2.8Å; D86-N88 PolarHBondContact O-N 3.18Å; D86-A89 PolarHBondContact O-N 3.15Å; D86-L90 WeakPolarHBondContact O-CG 3.48Å; D86-L90 PolarHBondContact O-N 3.04Å |
| 87 | A | 87.6 | Confident | 84.3 | Confident | 5 Ų | 5 | 73.7 Ų | 73.7 | 4% | 0.041 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -61.1 | -44.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q69 N70 I83 K84 A89 L90 G91 | Q69-A87 HydrophobicContact CB-CB 4.32Å; N70-A87 VanDerWaalsContact OD1-CB 3.3Å; N70-A87 WeakPolarHBondContact OD1-CB 3.42Å; I83-A87 PolarHBondContact O-N 2.88Å; K84-A87 PolarHBondContact O-N 3.3Å; A87-A89 VanDerWaalsContact C-N 3.34Å; A87-A89 PolarHBondContact O-N 3.48Å; A87-L90 PolarHBondContact O-N 2.9Å; A87-G91 PolarHBondContact O-N 3.3Å |
| 88 | N | 87.5 | Confident | 85.6 | Confident | 32 Ų | 32 | 67.6 Ų | 67.6 | 17% | 0.171 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -68.3 | -32.8 | 178.2 | -72.6 | -6.9 | 0 | 0 | 0 | 112.7 | K84 R85 D86 R92 E217 R221 | K84-N88 WeakPolarHBondContact O-CB 2.75Å; K84-N88 PolarHBondContact O-N 3.23Å; R85-N88 PolarHBondContact O-N 3.24Å; D86-N88 PolarHBondContact O-N 3.18Å; N88-R92 PolarHBondContact O-N 3.49Å; N88-R92 PolarHBondContact O-NH1 3.48Å; N88-E217 PolarHBondContact ND2-OE2 2.59Å; N88-E217 PolarHBondContact OD1-OE2 2.87Å; N88-R221 PolarHBondContact OD1-NH1 2.89Å |
| 89 | A | 91.1 | Very high | 87.1 | Confident | 30 Ų | 30 | 62.4 Ų | 62.4 | 25% | 0.248 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.2 | -48.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | R85 D86 A87 G91 R92 D93 | R85-A89 WeakPolarHBondContact O-CB 3.45Å; R85-A89 PolarHBondContact O-N 3.15Å; D86-A89 PolarHBondContact O-N 3.15Å; A87-A89 VanDerWaalsContact C-N 3.34Å; A87-A89 PolarHBondContact O-N 3.48Å; A89-G91 VanDerWaalsContact C-N 3.31Å; A89-G91 PolarHBondContact O-N 3.14Å; A89-R92 PolarHBondContact O-N 3.19Å; A89-R92 VanDerWaalsContact O-N 3.12Å; A89-D93 VanDerWaalsContact O-CG 3.32Å; A89-D93 PolarHBondContact O-N 2.85Å |
| 90 | L | 91.9 | Very high | 88.5 | Confident | 16 Ų | 16 | 55.4 Ų | 55.4 | 8% | 0.084 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -57.5 | -43 | 175.1 | -68.9 | 171.2 | 0 | 0 | 0 | 111.8 | R65 M66 Q69 D86 A87 R92 D93 I94 | R65-L90 HydrophobicContact CB-CD1 4.34Å; R65-L90 HydrophobicContact CG-CD1 4.01Å; M66-L90 HydrophobicContact CB-CB 4.1Å; M66-L90 HydrophobicContact CB-CD1 4.15Å; M66-L90 HydrophobicContact CG-CB 4.24Å; Q69-L90 HydrophobicContact CG-CD1 4.23Å; D86-L90 WeakPolarHBondContact O-CG 3.48Å; D86-L90 PolarHBondContact O-N 3.04Å; A87-L90 PolarHBondContact O-N 2.9Å; L90-R92 VanDerWaalsContact C-N 3.33Å; L90-R92 PolarHBondContact O-N 3.04Å; L90-D93 PolarHBondContact O-N 3.14Å; L90-I94 WeakPolarHBondContact O-CB 3.3Å; L90-I94 WeakPolarHBondContact O-CD1 3.39Å; L90-I94 WeakPolarHBondContact O-CG1 3.31Å; L90-I94 PolarHBondContact O-N 2.77Å |
| 91 | G | 90.6 | Very high | 89.6 | Confident | 3 Ų | 3 | 51.6 Ų | 51.6 | 3% | 0.031 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59.1 | -40.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | A87 A89 K95 | A87-G91 PolarHBondContact O-N 3.3Å; A89-G91 VanDerWaalsContact C-N 3.31Å; A89-G91 PolarHBondContact O-N 3.14Å; G91-K95 PolarHBondContact O-N 2.98Å; G91-K95 VanDerWaalsContact O-N 3.12Å |
| 92 | R | 91 | Very high | 90.4 | Very high | 157 Ų | 157 | 49.3 Ų | 49.3 | 59% | 0.592 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -68.5 | -40.8 | 174.9 | -70.6 | -170 | -58 | -82.9 | -0.9 | 112.4 | N88 A89 L90 K95 A96 | N88-R92 PolarHBondContact O-N 3.49Å; N88-R92 PolarHBondContact O-NH1 3.48Å; A89-R92 PolarHBondContact O-N 3.19Å; A89-R92 VanDerWaalsContact O-N 3.12Å; L90-R92 VanDerWaalsContact C-N 3.33Å; L90-R92 PolarHBondContact O-N 3.04Å; R92-K95 PolarHBondContact O-N 3.42Å; R92-A96 PolarHBondContact O-N 3.48Å |
| 93 | D | 92.7 | Very high | 91 | Very high | 90 Ų | 90 | 49.9 Ų | 49.9 | 48% | 0.481 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -66.2 | -40.6 | 179.2 | -65.5 | -15 | 0 | 0 | 0 | 111.1 | A89 L90 A96 R97 | A89-D93 VanDerWaalsContact O-CG 3.32Å; A89-D93 PolarHBondContact O-N 2.85Å; L90-D93 PolarHBondContact O-N 3.14Å; D93-A96 PolarHBondContact O-N 3.18Å; D93-R97 WeakPolarHBondContact O-CB 3.29Å; D93-R97 PolarHBondContact O-N 2.97Å |
| 94 | I | 93.3 | Very high | 91.6 | Very high | 1 Ų | 1 | 54.3 Ų | 54.3 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.6 | -46.9 | 173.9 | -69.6 | 163.5 | 0 | 0 | 0 | 110.1 | L59 D62 V63 M66 L90 R97 G98 F147 | L59-I94 HydrophobicContact CD1-CB 4.21Å; L59-I94 HydrophobicContact CD1-CG2 3.66Å; L59-I94 WeakPolarHBondContact CD1-O 3.39Å; D62-I94 HydrophobicContact CB-CD1 4.13Å; D62-I94 HydrophobicContact CB-CG1 3.65Å; V63-I94 HydrophobicContact CG2-CD1 3.96Å; V63-I94 HydrophobicContact CG2-CG1 4.4Å; V63-I94 HydrophobicContact CG2-CG2 4.14Å; M66-I94 HydrophobicContact CB-CD1 4.21Å; M66-I94 HydrophobicContact CE-CD1 4.26Å; M66-I94 HydrophobicContact SD-CD1 3.92Å; L90-I94 WeakPolarHBondContact O-CB 3.3Å; L90-I94 WeakPolarHBondContact O-CD1 3.39Å; L90-I94 WeakPolarHBondContact O-CG1 3.31Å; L90-I94 PolarHBondContact O-N 2.77Å; I94-R97 PolarHBondContact O-N 3.2Å; I94-G98 PolarHBondContact O-N 3.09Å; I94-F147 HydrophobicContact CB-CE1 4.4Å; I94-F147 HydrophobicContact CB-CZ 4.28Å; I94-F147 HydrophobicContact CD1-CE2 4.19Å; I94-F147 HydrophobicContact CG2-CD1 3.52Å; I94-F147 HydrophobicContact CG2-CD2 4.1Å; I94-F147 HydrophobicContact CG2-CE1 3.35Å; I94-F147 HydrophobicContact CG2-CE2 3.94Å; I94-F147 HydrophobicContact CG2-CG 3.92Å; I94-F147 HydrophobicContact CG2-CZ 3.59Å |
| 95 | K | 92.1 | Very high | 92.1 | Very high | 63 Ų | 63 | 52.1 Ų | 52.1 | 27% | 0.274 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -57.9 | -54.6 | 176.2 | 179.6 | -178.1 | -177 | 168.5 | 0 | 111.8 | G91 R92 R97 G98 E99 D224 | G91-K95 PolarHBondContact O-N 2.98Å; G91-K95 VanDerWaalsContact O-N 3.12Å; R92-K95 PolarHBondContact O-N 3.42Å; K95-R97 VanDerWaalsContact C-N 3.27Å; K95-R97 PolarHBondContact O-N 3.36Å; K95-G98 WeakPolarHBondContact O-CA 3.49Å; K95-G98 PolarHBondContact O-N 3.49Å; K95-E99 WeakPolarHBondContact CE-OE1 3.49Å; K95-E99 PolarHBondContact O-N 3.42Å; K95-D224 HydrophobicContact CD-CB 4.08Å; K95-D224 WeakPolarHBondContact CD-OD2 3.46Å; K95-D224 WeakPolarHBondContact CE-OD2 3.37Å; K95-D224 IonicContact NZ-OD1 3.83Å; K95-D224 PolarHBondContact NZ-OD1 3.15Å; K95-D224 IonicContact NZ-OD2 2.93Å; K95-D224 PolarHBondContact NZ-OD2 2.99Å |
| 96 | A | 93.9 | Very high | 92.4 | Very high | 54 Ų | 54 | 47.4 Ų | 47.4 | 45% | 0.446 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -59.7 | -39 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112 | R92 D93 A100 | R92-A96 PolarHBondContact O-N 3.48Å; D93-A96 PolarHBondContact O-N 3.18Å; A96-A100 WeakPolarHBondContact O-CB 3.47Å; A96-A100 PolarHBondContact O-N 2.86Å |
| 97 | R | 94.8 | Very high | 92.7 | Very high | 58 Ų | 58 | 50.9 Ų | 50.9 | 22% | 0.219 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -67.3 | -41.3 | 174.8 | -167.1 | -168.6 | -54.3 | -76.8 | 2.1 | 111.6 | E55 L59 D62 D93 I94 K95 A100 I101 | E55-R97 WeakPolarHBondContact O-CD 3.3Å; E55-R97 IonicContact OE2-CZ 3.46Å; E55-R97 IonicContact OE2-NH1 3.58Å; E55-R97 PolarHBondContact OE2-NH1 2.63Å; L59-R97 HydrophobicContact CD1-CB 3.99Å; L59-R97 HydrophobicContact CD1-CG 4.25Å; D62-R97 IonicContact OD2-CZ 3.51Å; D62-R97 IonicContact OD2-NE 3.56Å; D62-R97 PolarHBondContact OD2-NE 3.48Å; D62-R97 IonicContact OD2-NH2 2.7Å; D62-R97 PolarHBondContact OD2-NH2 3.27Å; D93-R97 WeakPolarHBondContact O-CB 3.29Å; D93-R97 PolarHBondContact O-N 2.97Å; I94-R97 PolarHBondContact O-N 3.2Å; K95-R97 VanDerWaalsContact C-N 3.27Å; K95-R97 PolarHBondContact O-N 3.36Å; R97-A100 PolarHBondContact O-N 3.45Å; R97-I101 HydrophobicContact CG-CD1 4.04Å; R97-I101 VanDerWaalsContact O-CG1 3.28Å; R97-I101 WeakPolarHBondContact O-CG1 3.5Å; R97-I101 PolarHBondContact O-N 3.48Å |
| 98 | G | 94.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -58.5 | -49.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | I94 K95 A100 I101 Y102 F140 | I94-G98 PolarHBondContact O-N 3.09Å; K95-G98 WeakPolarHBondContact O-CA 3.49Å; K95-G98 PolarHBondContact O-N 3.49Å; G98-A100 VanDerWaalsContact C-N 3.34Å; G98-A100 PolarHBondContact O-N 2.92Å; G98-I101 PolarHBondContact O-N 3.25Å; G98-Y102 WeakPolarHBondContact O-CB 3.48Å; G98-Y102 PolarHBondContact O-N 3.17Å; G98-F140 WeakPolarHBondContact O-CZ 3.46Å |
| 99 | E | 94.3 | Very high | 92.9 | Very high | 95 Ų | 95 | 50.1 Ų | 50.1 | 44% | 0.444 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -60.6 | -41.2 | 175.9 | -69.4 | 172.2 | 172.8 | 0 | 0 | 112 | K95 Y102 A103 L228 | K95-E99 WeakPolarHBondContact CE-OE1 3.49Å; K95-E99 PolarHBondContact O-N 3.42Å; E99-Y102 PolarHBondContact O-N 2.84Å; E99-A103 PolarHBondContact O-N 3.41Å; E99-L228 HydrophobicContact CG-CD2 4.22Å |
| 100 | A | 94.9 | Very high | 92.9 | Very high | 50 Ų | 50 | 53.8 Ų | 53.8 | 41% | 0.413 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -66.8 | -39.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | A96 R97 G98 R104 | A96-A100 WeakPolarHBondContact O-CB 3.47Å; A96-A100 PolarHBondContact O-N 2.86Å; R97-A100 PolarHBondContact O-N 3.45Å; G98-A100 VanDerWaalsContact C-N 3.34Å; G98-A100 PolarHBondContact O-N 2.92Å; A100-R104 WeakPolarHBondContact O-CG 3.44Å; A100-R104 PolarHBondContact O-N 2.94Å |
| 101 | I | 94.9 | Very high | 92.8 | Very high | 3 Ų | 3 | 55.7 Ų | 55.7 | 2% | 0.015 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65.3 | -45 | 174.3 | -69.3 | 163.4 | 0 | 0 | 0 | 109.7 | E55 M56 L59 R97 G98 A103 R104 L105 F140 | E55-I101 HydrophobicContact CB-CD1 4.02Å; E55-I101 HydrophobicContact CB-CG1 4.01Å; M56-I101 HydrophobicContact CE-CG2 3.55Å; M56-I101 HydrophobicContact CG-CD1 4.03Å; M56-I101 HydrophobicContact CG-CG2 4.25Å; L59-I101 HydrophobicContact CD2-CD1 4.22Å; R97-I101 HydrophobicContact CG-CD1 4.04Å; R97-I101 VanDerWaalsContact O-CG1 3.28Å; R97-I101 WeakPolarHBondContact O-CG1 3.5Å; R97-I101 PolarHBondContact O-N 3.48Å; G98-I101 PolarHBondContact O-N 3.25Å; I101-A103 PolarHBondContact O-N 3.48Å; I101-R104 PolarHBondContact O-N 3.05Å; I101-L105 HydrophobicContact CG2-CD1 4.19Å; I101-L105 HydrophobicContact CG2-CG 4.46Å; I101-L105 PolarHBondContact O-N 2.96Å; I101-F140 HydrophobicContact CB-CD2 4.16Å; I101-F140 HydrophobicContact CB-CE2 3.87Å; I101-F140 HydrophobicContact CB-CZ 4.48Å; I101-F140 HydrophobicContact CD1-CD2 4.46Å; I101-F140 HydrophobicContact CD1-CE2 4.33Å; I101-F140 HydrophobicContact CG2-CD2 3.44Å; I101-F140 VanDerWaalsContact CG2-CD2 3.44Å; I101-F140 HydrophobicContact CG2-CE2 3.67Å; I101-F140 HydrophobicContact CG2-CG 3.96Å; I101-F140 HydrophobicContact CG2-CZ 4.35Å |
| 102 | Y | 94.2 | Very high | 92.7 | Very high | 31 Ų | 31 | 55.8 Ų | 55.8 | 12% | 0.122 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -57.3 | -49.1 | 177.1 | 173.8 | -97.1 | 0 | 0 | 0 | 112.1 | G98 E99 R104 L105 E106 Q231 L235 | G98-Y102 WeakPolarHBondContact O-CB 3.48Å; G98-Y102 PolarHBondContact O-N 3.17Å; E99-Y102 PolarHBondContact O-N 2.84Å; Y102-R104 PolarHBondContact O-N 2.79Å; Y102-L105 WeakPolarHBondContact O-CB 2.93Å; Y102-L105 PolarHBondContact O-N 3.45Å; Y102-L105 VanDerWaalsContact O-N 3.07Å; Y102-E106 PolarHBondContact O-N 3.26Å; Y102-Q231 HydrophobicContact CD2-CB 4.13Å; Y102-Q231 HydrophobicContact CE1-CB 4.36Å; Y102-Q231 HydrophobicContact CE2-CB 3.49Å; Y102-Q231 VanDerWaalsContact CE2-CB 3.49Å; Y102-Q231 HydrophobicContact CE2-CG 4.49Å; Y102-L235 HydrophobicContact CD2-CD1 3.81Å; Y102-L235 HydrophobicContact CE2-CD1 3.34Å; Y102-L235 HydrophobicContact CE2-CG 3.82Å |
| 103 | A | 94.3 | Very high | 92.5 | Very high | 51 Ų | 51 | 52 Ų | 52 | 42% | 0.421 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -59.3 | -35.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | E99 I101 K107 | E99-A103 PolarHBondContact O-N 3.41Å; I101-A103 PolarHBondContact O-N 3.48Å; A103-K107 PolarHBondContact O-N 2.91Å; A103-K107 VanDerWaalsContact O-N 3.14Å |
| 104 | R | 94 | Very high | 92.4 | Very high | 104 Ų | 104 | 53.1 Ų | 53.1 | 39% | 0.392 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -72 | -39.6 | 175.2 | -69 | 176.4 | -178.5 | -147.2 | 3.7 | 112.3 | M51 M52 A100 I101 Y102 K107 M108 | M51-R104 PolarHBondContact SD-NH1 3.17Å; M52-R104 HydrophobicContact CG-CB 4.2Å; M52-R104 HydrophobicContact SD-CB 3.56Å; M52-R104 VanDerWaalsContact SD-CB 3.56Å; A100-R104 WeakPolarHBondContact O-CG 3.44Å; A100-R104 PolarHBondContact O-N 2.94Å; I101-R104 PolarHBondContact O-N 3.05Å; Y102-R104 PolarHBondContact O-N 2.79Å; R104-K107 PolarHBondContact O-N 2.77Å; R104-M108 WeakPolarHBondContact O-CB 3.49Å; R104-M108 PolarHBondContact O-N 2.9Å |
| 105 | L | 93.3 | Very high | 92 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -58.9 | -52.5 | 172.1 | -76.6 | 173.1 | 0 | 0 | 0 | 109.8 | M52 M56 I101 Y102 K107 M108 G109 Y133 L136 F140 L235 | M52-L105 HydrophobicContact SD-CD2 4.5Å; M56-L105 HydrophobicContact CE-CD1 4.46Å; I101-L105 HydrophobicContact CG2-CD1 4.19Å; I101-L105 HydrophobicContact CG2-CG 4.46Å; I101-L105 PolarHBondContact O-N 2.96Å; Y102-L105 WeakPolarHBondContact O-CB 2.93Å; Y102-L105 PolarHBondContact O-N 3.45Å; Y102-L105 VanDerWaalsContact O-N 3.07Å; L105-K107 VanDerWaalsContact C-N 3.29Å; L105-K107 PolarHBondContact O-N 3.36Å; L105-M108 HydrophobicContact CD2-CE 3.77Å; L105-M108 CarbonylContact O-C 3.58Å; L105-M108 PolarHBondContact O-N 3.26Å; L105-G109 PolarHBondContact O-N 2.68Å; L105-Y133 WeakPolarHBondContact O-CE2 3.45Å; L105-L136 HydrophobicContact CD2-CB 3.71Å; L105-F140 HydrophobicContact CD1-CB 3.81Å; L105-F140 HydrophobicContact CD1-CD1 3.63Å; L105-F140 HydrophobicContact CD1-CE1 4.41Å; L105-F140 HydrophobicContact CD1-CG 3.84Å; L105-L235 HydrophobicContact CB-CD1 4.31Å |
| 106 | E | 92.7 | Very high | 91.7 | Very high | 70 Ų | 70 | 52.8 Ų | 52.8 | 33% | 0.327 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -52.8 | -46.8 | 178.6 | -167.3 | -160.7 | 174.5 | 0 | 0 | 111.9 | Y102 M108 G109 K110 L235 | Y102-E106 PolarHBondContact O-N 3.26Å; E106-M108 PolarHBondContact O-N 3.05Å; E106-G109 PolarHBondContact O-N 2.82Å; E106-K110 PolarHBondContact O-N 3.3Å; E106-K110 WeakPolarHBondContact OE1-CE 3.27Å; E106-K110 IonicContact OE1-NZ 2.76Å; E106-K110 PolarHBondContact OE1-NZ 3.27Å; E106-L235 HydrophobicContact CG-CD2 4.42Å |
| 107 | K | 92.8 | Very high | 91.4 | Very high | 155 Ų | 155 | 58.1 Ų | 58.1 | 67% | 0.674 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -60.4 | -45.1 | 176.2 | -173.3 | -176.3 | 177.3 | -170.9 | 0 | 112.4 | A103 R104 L105 G109 K110 L111 | A103-K107 PolarHBondContact O-N 2.91Å; A103-K107 VanDerWaalsContact O-N 3.14Å; R104-K107 PolarHBondContact O-N 2.77Å; L105-K107 VanDerWaalsContact C-N 3.29Å; L105-K107 PolarHBondContact O-N 3.36Å; K107-G109 VanDerWaalsContact C-N 3.28Å; K107-G109 PolarHBondContact O-N 3.37Å; K107-K110 PolarHBondContact O-N 2.91Å; K107-L111 PolarHBondContact O-N 3.17Å |
| 108 | M | 90.9 | Very high | 91 | Very high | 14 Ų | 14 | 62.2 Ų | 62.2 | 7% | 0.069 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -67.2 | -31.3 | 177.9 | -174.4 | 175.4 | 51.7 | 0 | 0 | 111.9 | M52 R104 L105 E106 L111 S112 V129 Y133 L136 | M52-M108 HydrophobicContact CE-CE 3.72Å; M52-M108 HydrophobicContact CE-SD 3.78Å; M52-M108 HydrophobicContact SD-CE 4.42Å; R104-M108 WeakPolarHBondContact O-CB 3.49Å; R104-M108 PolarHBondContact O-N 2.9Å; L105-M108 HydrophobicContact CD2-CE 3.77Å; L105-M108 CarbonylContact O-C 3.58Å; L105-M108 PolarHBondContact O-N 3.26Å; E106-M108 PolarHBondContact O-N 3.05Å; M108-L111 PolarHBondContact O-N 2.96Å; M108-S112 WeakPolarHBondContact O-CB 3.44Å; M108-S112 PolarHBondContact O-N 3.44Å; M108-V129 HydrophobicContact CG-CG1 4.25Å; M108-Y133 HydrophobicContact CB-CD2 4.12Å; M108-Y133 HydrophobicContact CE-CD2 3.73Å; M108-Y133 HydrophobicContact CE-CG 4.18Å; M108-Y133 HydrophobicContact CG-CD2 4.11Å; M108-L136 HydrophobicContact CE-CB 4.17Å; M108-L136 HydrophobicContact CE-CD1 3.46Å; M108-L136 VanDerWaalsContact CE-CD1 3.46Å; M108-L136 HydrophobicContact CE-CG 4.44Å; M108-L136 HydrophobicContact SD-CD1 3.94Å |
| 109 | G | 89.5 | Confident | 90.4 | Very high | 7 Ų | 7 | 66.2 Ų | 66.2 | 7% | 0.072 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -65.8 | -43.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L105 E106 K107 S112 K113 Y133 | L105-G109 PolarHBondContact O-N 2.68Å; E106-G109 PolarHBondContact O-N 2.82Å; K107-G109 VanDerWaalsContact C-N 3.28Å; K107-G109 PolarHBondContact O-N 3.37Å; G109-S112 WeakPolarHBondContact O-CB 3.5Å; G109-S112 PolarHBondContact O-N 3.28Å; G109-K113 PolarHBondContact O-N 2.9Å; G109-K113 VanDerWaalsContact O-N 3.14Å; G109-Y133 VanDerWaalsContact CA-CD2 3.48Å |
| 110 | K | 90.4 | Very high | 89.8 | Confident | 108 Ų | 108 | 62.7 Ų | 62.7 | 47% | 0.47 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -60.7 | -47.4 | 172.9 | -69.2 | 173.5 | -174.2 | 166.6 | 0 | 111.4 | E106 K107 S112 K113 E114 | E106-K110 PolarHBondContact O-N 3.3Å; E106-K110 WeakPolarHBondContact OE1-CE 3.27Å; E106-K110 IonicContact OE1-NZ 2.76Å; E106-K110 PolarHBondContact OE1-NZ 3.27Å; K107-K110 PolarHBondContact O-N 2.91Å; K110-S112 VanDerWaalsContact C-N 3.28Å; K110-S112 PolarHBondContact O-N 3.46Å; K110-K113 WeakPolarHBondContact O-CB 3.4Å; K110-K113 PolarHBondContact O-N 3.49Å; K110-K113 VanDerWaalsContact O-N 3.08Å; K110-E114 WeakPolarHBondContact O-CG 3.5Å; K110-E114 PolarHBondContact O-N 3.41Å |
| 111 | L | 89.6 | Confident | 88.8 | Confident | 55 Ų | 55 | 64.5 Ų | 64.5 | 29% | 0.288 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -59 | -39 | 175.8 | -179.1 | 63.9 | 0 | 0 | 0 | 112.4 | I45 K107 M108 K113 E114 L115 | I45-L111 HydrophobicContact CD1-CD2 3.62Å; I45-L111 HydrophobicContact CG1-CD2 4.01Å; K107-L111 PolarHBondContact O-N 3.17Å; M108-L111 PolarHBondContact O-N 2.96Å; L111-K113 VanDerWaalsContact C-N 3.34Å; L111-K113 PolarHBondContact O-N 3.45Å; L111-E114 PolarHBondContact O-N 3.32Å; L111-L115 HydrophobicContact CD1-CD1 4.01Å; L111-L115 HydrophobicContact CD1-CG 4.16Å; L111-L115 HydrophobicContact CG-CD1 3.89Å; L111-L115 HydrophobicContact CG-CG 4.45Å; L111-L115 WeakPolarHBondContact O-CB 3.48Å; L111-L115 VanDerWaalsContact O-CG 3.3Å; L111-L115 WeakPolarHBondContact O-CG 3.27Å; L111-L115 PolarHBondContact O-N 3Å |
| 112 | S | 88.1 | Confident | 88 | Confident | 6 Ų | 6 | 66.8 Ų | 66.8 | 4% | 0.042 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -60.9 | -43.2 | 175.4 | -166.5 | 0 | 0 | 0 | 0 | 111.5 | M108 G109 K110 E116 | M108-S112 WeakPolarHBondContact O-CB 3.44Å; M108-S112 PolarHBondContact O-N 3.44Å; G109-S112 WeakPolarHBondContact O-CB 3.5Å; G109-S112 PolarHBondContact O-N 3.28Å; K110-S112 VanDerWaalsContact C-N 3.28Å; K110-S112 PolarHBondContact O-N 3.46Å; S112-E116 WeakPolarHBondContact O-CB 3.49Å; S112-E116 VanDerWaalsContact O-CG 3.29Å; S112-E116 WeakPolarHBondContact O-CG 3.46Å; S112-E116 PolarHBondContact O-N 2.96Å; S112-E116 VanDerWaalsContact O-N 3.09Å |
| 113 | K | 87.3 | Confident | 87.3 | Confident | 76 Ų | 76 | 65.9 Ų | 65.9 | 33% | 0.33 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -65.2 | -47 | 177.4 | -69.4 | 177.4 | 177.4 | 178.5 | 0 | 111.4 | G109 K110 L111 L115 E116 E117 E238 | G109-K113 PolarHBondContact O-N 2.9Å; G109-K113 VanDerWaalsContact O-N 3.14Å; K110-K113 WeakPolarHBondContact O-CB 3.4Å; K110-K113 PolarHBondContact O-N 3.49Å; K110-K113 VanDerWaalsContact O-N 3.08Å; L111-K113 VanDerWaalsContact C-N 3.34Å; L111-K113 PolarHBondContact O-N 3.45Å; K113-L115 PolarHBondContact O-N 2.85Å; K113-E116 PolarHBondContact O-N 3.19Å; K113-E117 WeakPolarHBondContact O-CG 3.36Å; K113-E117 PolarHBondContact O-N 3.45Å; K113-E238 IonicContact NZ-OE2 3.76Å; K113-E238 PolarHBondContact NZ-OE2 3.46Å |
| 114 | E | 89.8 | Confident | 86.6 | Confident | 114 Ų | 114 | 66.1 Ų | 66.1 | 53% | 0.533 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -58.6 | -44.2 | 178.6 | -70.2 | 167.2 | -171.7 | 0 | 0 | 112.2 | K110 L111 E117 E118 | K110-E114 WeakPolarHBondContact O-CG 3.5Å; K110-E114 PolarHBondContact O-N 3.41Å; L111-E114 PolarHBondContact O-N 3.32Å; E114-E117 PolarHBondContact O-N 3.46Å; E114-E118 WeakPolarHBondContact O-CB 3.39Å; E114-E118 PolarHBondContact O-N 3.24Å |
| 115 | L | 86.1 | Confident | 86.1 | Confident | 12 Ų | 12 | 61.7 Ų | 61.7 | 6% | 0.063 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -70.2 | -32.2 | 178.4 | -70.8 | 169.1 | 0 | 0 | 0 | 113.1 | I45 L111 K113 E117 H119 V125 A126 V129 | I45-L115 HydrophobicContact CD1-CD1 4.47Å; L111-L115 HydrophobicContact CD1-CD1 4.01Å; L111-L115 HydrophobicContact CD1-CG 4.16Å; L111-L115 HydrophobicContact CG-CD1 3.89Å; L111-L115 HydrophobicContact CG-CG 4.45Å; L111-L115 WeakPolarHBondContact O-CB 3.48Å; L111-L115 VanDerWaalsContact O-CG 3.3Å; L111-L115 WeakPolarHBondContact O-CG 3.27Å; L111-L115 PolarHBondContact O-N 3Å; K113-L115 PolarHBondContact O-N 2.85Å; L115-E117 VanDerWaalsContact C-N 3.34Å; L115-H119 PolarHBondContact O-N 3.41Å; L115-V125 HydrophobicContact CD1-CG1 4.1Å; L115-V125 HydrophobicContact CD2-CG1 4.41Å; L115-A126 HydrophobicContact CB-CB 4.35Å; L115-V129 HydrophobicContact CD1-CB 4.28Å; L115-V129 HydrophobicContact CD1-CG1 4.46Å; L115-V129 HydrophobicContact CD1-CG2 3.65Å |
| 116 | E | 85 | Confident | 85.6 | Confident | 46 Ų | 46 | 61.7 Ų | 61.7 | 22% | 0.215 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -66.4 | -36.5 | 172.3 | -76.8 | -178.9 | -174.2 | 0 | 0 | 111.3 | S112 K113 G120 A126 R130 | S112-E116 WeakPolarHBondContact O-CB 3.49Å; S112-E116 VanDerWaalsContact O-CG 3.29Å; S112-E116 WeakPolarHBondContact O-CG 3.46Å; S112-E116 PolarHBondContact O-N 2.96Å; S112-E116 VanDerWaalsContact O-N 3.09Å; K113-E116 PolarHBondContact O-N 3.19Å; E116-G120 CarbonylContact O-C 3.33Å; E116-G120 WeakPolarHBondContact O-CA 3.49Å; E116-G120 PolarHBondContact O-N 3.47Å; E116-A126 HydrophobicContact CG-CB 4.09Å; E116-R130 WeakPolarHBondContact OE1-CD 3.47Å; E116-R130 IonicContact OE1-CZ 3.76Å; E116-R130 IonicContact OE1-NE 3.39Å; E116-R130 IonicContact OE1-NH1 2.84Å; E116-R130 PolarHBondContact OE1-NH1 3.42Å; E116-R130 IonicContact OE2-NH1 3.93Å |
| 117 | E | 88.1 | Confident | 85.2 | Confident | 166 Ų | 166 | 60.6 Ų | 60.6 | 78% | 0.776 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -72.2 | -41.9 | 175.6 | -70.6 | 175.9 | -173.8 | 0 | 0 | 112.6 | K113 E114 L115 | K113-E117 WeakPolarHBondContact O-CG 3.36Å; K113-E117 PolarHBondContact O-N 3.45Å; E114-E117 PolarHBondContact O-N 3.46Å; L115-E117 VanDerWaalsContact C-N 3.34Å |
| 118 | E | 87.1 | Confident | 84.9 | Confident | 143 Ų | 143 | 54.2 Ų | 54.2 | 67% | 0.668 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -74.5 | -47.5 | -176.4 | -171.9 | -175.5 | 165.4 | 0 | 0 | 113 | E114 | E114-E118 WeakPolarHBondContact O-CB 3.39Å; E114-E118 PolarHBondContact O-N 3.24Å |
| 119 | H | 82.3 | Confident | 84.7 | Confident | 84 Ų | 84 | 53.5 Ų | 53.5 | 39% | 0.389 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -108 | -4.8 | -171.8 | -58.6 | -44.3 | 0 | 0 | 0 | 113.6 | L115 | L115-H119 PolarHBondContact O-N 3.41Å |
| 120 | G | 79.8 | Confident | 84.5 | Confident | 22 Ų | 22 | 57 Ų | 57 | 23% | 0.227 | 29% | 0.289 | C | S | . | . | trans | 82 | 155.6 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | E116 T122 S123 | E116-G120 CarbonylContact O-C 3.33Å; E116-G120 WeakPolarHBondContact O-CA 3.49Å; E116-G120 PolarHBondContact O-N 3.47Å; G120-T122 PolarHBondContact O-N 2.76Å; G120-T122 VanDerWaalsContact O-N 3.14Å; G120-S123 WeakPolarHBondContact O-CB 3.45Å; G120-S123 PolarHBondContact O-N 3.28Å; G120-S123 VanDerWaalsContact O-N 3.14Å | ||
| 121 | P | 75.4 | Confident | 84.3 | Confident | 88 Ų | 88 | 54.8 Ų | 54.8 | 57% | 0.571 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -20.5 | -173.9 | 26.1 | -35.4 | 0 | 0 | 0 | 114 | R127 | P121-R127 WeakPolarHBondContact O-CG 3.49Š|
| 122 | T | 76.8 | Confident | 84.3 | Confident | 50 Ų | 50 | 53.5 Ų | 53.5 | 31% | 0.307 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | -9.6 | -179.5 | 51.9 | 0 | 0 | 0 | 0 | 113.5 | G120 R127 A252 Y256 | G120-T122 PolarHBondContact O-N 2.76Å; G120-T122 VanDerWaalsContact O-N 3.14Å; T122-R127 PolarHBondContact O-NE 2.86Å; T122-A252 HydrophobicContact CG2-CB 4.14Å; T122-Y256 WeakPolarHBondContact O-CE2 3.38Å |
| 123 | S | 80.7 | Confident | 84.4 | Confident | 13 Ų | 13 | 53.2 Ų | 53.2 | 9% | 0.091 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -58.2 | 143 | 179.5 | 176.5 | 0 | 0 | 0 | 0 | 111.6 | G120 V125 A126 R127 | G120-S123 WeakPolarHBondContact O-CB 3.45Å; G120-S123 PolarHBondContact O-N 3.28Å; G120-S123 VanDerWaalsContact O-N 3.14Å; S123-V125 VanDerWaalsContact C-N 3.3Å; S123-V125 PolarHBondContact O-N 2.92Å; S123-A126 PolarHBondContact O-N 2.75Å; S123-R127 WeakPolarHBondContact O-CB 3.35Å; S123-R127 WeakPolarHBondContact O-CG 3.43Å; S123-R127 PolarHBondContact O-N 3.08Å |
| 124 | A | 80.2 | Confident | 84.3 | Confident | 55 Ų | 55 | 50.8 Ų | 50.8 | 46% | 0.455 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -60.1 | -41.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | M128 | A124-M128 VanDerWaalsContact O-CB 3.25Å; A124-M128 WeakPolarHBondContact O-CB 3.23Å; A124-M128 PolarHBondContact O-N 3.28Å |
| 125 | V | 82.8 | Confident | 84.3 | Confident | 12 Ų | 12 | 47.5 Ų | 47.5 | 7% | 0.073 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -65.9 | -52 | 178.5 | -174.9 | 0 | 0 | 0 | 0 | 109.7 | V41 M42 L115 S123 R127 M128 V129 | V41-V125 HydrophobicContact CG1-CG1 4.24Å; M42-V125 HydrophobicContact CE-CG2 4.3Å; M42-V125 HydrophobicContact CG-CG1 4.22Å; M42-V125 HydrophobicContact CG-CG2 4.04Å; M42-V125 HydrophobicContact SD-CG2 4.05Å; L115-V125 HydrophobicContact CD1-CG1 4.1Å; L115-V125 HydrophobicContact CD2-CG1 4.41Å; S123-V125 VanDerWaalsContact C-N 3.3Å; S123-V125 PolarHBondContact O-N 2.92Å; V125-R127 PolarHBondContact O-N 3.25Å; V125-M128 WeakPolarHBondContact O-CB 3.4Å; V125-M128 PolarHBondContact O-N 2.92Å; V125-M128 VanDerWaalsContact O-N 3.15Å; V125-V129 HydrophobicContact CG1-CG2 4.4Å; V125-V129 VanDerWaalsContact O-CG2 3.32Å; V125-V129 WeakPolarHBondContact O-CG2 3.4Å; V125-V129 PolarHBondContact O-N 3.48Å |
| 126 | A | 83.5 | Confident | 84.6 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -56.1 | -47.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L115 E116 S123 M128 V129 R130 | L115-A126 HydrophobicContact CB-CB 4.35Å; E116-A126 HydrophobicContact CG-CB 4.09Å; S123-A126 PolarHBondContact O-N 2.75Å; A126-M128 PolarHBondContact O-N 3.21Å; A126-V129 PolarHBondContact O-N 2.99Å; A126-R130 VanDerWaalsContact O-CB 3.29Å; A126-R130 WeakPolarHBondContact O-CB 3.49Å; A126-R130 PolarHBondContact O-N 3.19Å |
| 127 | R | 82.6 | Confident | 84.9 | Confident | 47 Ų | 47 | 44.8 Ų | 44.8 | 18% | 0.177 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.4 | -40.3 | 177.4 | -70.9 | -172.2 | -64.6 | 128.7 | -1.8 | 113 | P121 T122 S123 V125 S131 N249 T253 | P121-R127 WeakPolarHBondContact O-CG 3.49Å; T122-R127 PolarHBondContact O-NE 2.86Å; S123-R127 WeakPolarHBondContact O-CB 3.35Å; S123-R127 WeakPolarHBondContact O-CG 3.43Å; S123-R127 PolarHBondContact O-N 3.08Å; V125-R127 PolarHBondContact O-N 3.25Å; R127-S131 VanDerWaalsContact O-CB 3.25Å; R127-S131 WeakPolarHBondContact O-CB 3.48Å; R127-S131 PolarHBondContact O-N 3.41Å; R127-N249 PolarHBondContact NH1-O 3.07Å; R127-T253 VanDerWaalsContact CZ-OG1 3.3Å; R127-T253 PolarHBondContact NH1-OG1 3.38Å; R127-T253 PolarHBondContact NH2-OG1 3.1Å |
| 128 | M | 86.1 | Confident | 84.9 | Confident | 20 Ų | 20 | 39.6 Ų | 39.6 | 10% | 0.099 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.4 | -48.4 | 177.3 | -177.9 | -150.2 | 70.9 | 0 | 0 | 111 | M42 I45 Y46 A124 V125 A126 S131 Q132 | M42-M128 HydrophobicContact CB-CE 4.05Å; M42-M128 HydrophobicContact CB-SD 3.78Å; M42-M128 HydrophobicContact CG-CE 3.78Å; M42-M128 HydrophobicContact CG-SD 3.59Å; M42-M128 VanDerWaalsContact CG-SD 3.59Å; M42-M128 HydrophobicContact SD-SD 3.96Å; I45-M128 HydrophobicContact CB-CE 4.12Å; I45-M128 HydrophobicContact CD1-CE 4.34Å; I45-M128 HydrophobicContact CG2-CE 4.04Å; Y46-M128 HydrophobicContact CD2-SD 3.86Å; Y46-M128 HydrophobicContact CE1-SD 4.49Å; Y46-M128 HydrophobicContact CE2-CE 4.46Å; Y46-M128 HydrophobicContact CE2-CG 4.05Å; Y46-M128 HydrophobicContact CE2-SD 3.15Å; Y46-M128 WeakPolarHBondContact CE2-SD 3.39Å; Y46-M128 VanDerWaalsContact CZ-SD 3.52Å; Y46-M128 WeakPolarHBondContact OH-CG 3.2Å; A124-M128 VanDerWaalsContact O-CB 3.25Å; A124-M128 WeakPolarHBondContact O-CB 3.23Å; A124-M128 PolarHBondContact O-N 3.28Å; V125-M128 WeakPolarHBondContact O-CB 3.4Å; V125-M128 PolarHBondContact O-N 2.92Å; V125-M128 VanDerWaalsContact O-N 3.15Å; A126-M128 PolarHBondContact O-N 3.21Å; M128-S131 PolarHBondContact O-N 3.45Å; M128-Q132 WeakPolarHBondContact O-CG 3.43Å; M128-Q132 PolarHBondContact O-N 3.27Å |
| 129 | V | 87.9 | Confident | 85.1 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.8 | -48.1 | 179 | -178.8 | 0 | 0 | 0 | 0 | 110.9 | I45 M108 L115 V125 A126 S131 Q132 Y133 | I45-V129 HydrophobicContact CD1-CB 4.46Å; I45-V129 HydrophobicContact CD1-CG1 4.4Å; I45-V129 HydrophobicContact CD1-CG2 3.25Å; I45-V129 HydrophobicContact CG1-CG2 4.47Å; I45-V129 HydrophobicContact CG2-CG2 4.2Å; M108-V129 HydrophobicContact CG-CG1 4.25Å; L115-V129 HydrophobicContact CD1-CB 4.28Å; L115-V129 HydrophobicContact CD1-CG1 4.46Å; L115-V129 HydrophobicContact CD1-CG2 3.65Å; V125-V129 HydrophobicContact CG1-CG2 4.4Å; V125-V129 VanDerWaalsContact O-CG2 3.32Å; V125-V129 WeakPolarHBondContact O-CG2 3.4Å; V125-V129 PolarHBondContact O-N 3.48Å; A126-V129 PolarHBondContact O-N 2.99Å; V129-S131 VanDerWaalsContact C-N 3.32Å; V129-S131 PolarHBondContact O-N 3.15Å; V129-Q132 PolarHBondContact O-N 3.27Å; V129-Y133 WeakPolarHBondContact O-CB 3.22Å; V129-Y133 PolarHBondContact O-N 3.41Å |
| 130 | R | 85.8 | Confident | 85.7 | Confident | 81 Ų | 81 | 30 Ų | 30 | 31% | 0.306 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -55.3 | -46.7 | 175.8 | -173.6 | -170.7 | 179.1 | 97.7 | 4.7 | 111.6 | E116 A126 Y133 V134 | E116-R130 WeakPolarHBondContact OE1-CD 3.47Å; E116-R130 IonicContact OE1-CZ 3.76Å; E116-R130 IonicContact OE1-NE 3.39Å; E116-R130 IonicContact OE1-NH1 2.84Å; E116-R130 PolarHBondContact OE1-NH1 3.42Å; E116-R130 IonicContact OE2-NH1 3.93Å; A126-R130 VanDerWaalsContact O-CB 3.29Å; A126-R130 WeakPolarHBondContact O-CB 3.49Å; A126-R130 PolarHBondContact O-N 3.19Å; R130-Y133 WeakPolarHBondContact O-CB 3.41Å; R130-Y133 PolarHBondContact O-N 3.11Å; R130-V134 WeakPolarHBondContact O-CG2 3.25Å; R130-V134 PolarHBondContact O-N 3.35Å |
| 131 | S | 85.8 | Confident | 86.2 | Confident | 60 Ų | 60 | 33.4 Ų | 33.4 | 42% | 0.42 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -63.6 | -43.9 | 178.9 | 179.3 | 0 | 0 | 0 | 0 | 112.4 | R127 M128 V129 Y133 V134 S135 | R127-S131 VanDerWaalsContact O-CB 3.25Å; R127-S131 WeakPolarHBondContact O-CB 3.48Å; R127-S131 PolarHBondContact O-N 3.41Å; M128-S131 PolarHBondContact O-N 3.45Å; V129-S131 VanDerWaalsContact C-N 3.32Å; V129-S131 PolarHBondContact O-N 3.15Å; S131-Y133 VanDerWaalsContact C-N 3.33Å; S131-V134 PolarHBondContact O-N 3.02Å; S131-S135 WeakPolarHBondContact O-CB 3.43Å; S131-S135 PolarHBondContact O-N 3.36Å |
| 132 | Q | 89.4 | Confident | 87 | Confident | 29 Ų | 29 | 34.2 Ų | 34.2 | 14% | 0.136 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.4 | -43.9 | 174.8 | -71 | -56.8 | -27.9 | 0 | 0 | 111.3 | A49 R53 M128 V129 S135 L136 | A49-Q132 HydrophobicContact CB-CB 4.44Å; A49-Q132 HydrophobicContact CB-CG 4.36Å; R53-Q132 VanDerWaalsContact NH2-OE1 3.07Å; M128-Q132 WeakPolarHBondContact O-CG 3.43Å; M128-Q132 PolarHBondContact O-N 3.27Å; V129-Q132 PolarHBondContact O-N 3.27Å; Q132-S135 PolarHBondContact O-N 3.07Å; Q132-L136 HydrophobicContact CB-CD1 4.47Å; Q132-L136 VanDerWaalsContact O-CB 3.28Å; Q132-L136 WeakPolarHBondContact O-CB 3.42Å; Q132-L136 WeakPolarHBondContact O-CD1 3.26Å; Q132-L136 VanDerWaalsContact O-CG 3.23Å; Q132-L136 WeakPolarHBondContact O-CG 3.48Å; Q132-L136 PolarHBondContact O-N 3.49Å |
| 133 | Y | 89.6 | Confident | 87.8 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -56.6 | -53.7 | 177.1 | 180 | -76.2 | 0 | 0 | 0 | 111.6 | L105 M108 G109 V129 R130 S131 S135 L136 T137 L235 Q239 | L105-Y133 WeakPolarHBondContact O-CE2 3.45Å; M108-Y133 HydrophobicContact CB-CD2 4.12Å; M108-Y133 HydrophobicContact CE-CD2 3.73Å; M108-Y133 HydrophobicContact CE-CG 4.18Å; M108-Y133 HydrophobicContact CG-CD2 4.11Å; G109-Y133 VanDerWaalsContact CA-CD2 3.48Å; V129-Y133 WeakPolarHBondContact O-CB 3.22Å; V129-Y133 PolarHBondContact O-N 3.41Å; R130-Y133 WeakPolarHBondContact O-CB 3.41Å; R130-Y133 PolarHBondContact O-N 3.11Å; S131-Y133 VanDerWaalsContact C-N 3.33Å; Y133-S135 VanDerWaalsContact C-N 3.32Å; Y133-S135 PolarHBondContact O-N 2.76Å; Y133-L136 PolarHBondContact O-N 3.1Å; Y133-T137 HydrophobicContact CE1-CG2 4.34Å; Y133-T137 WeakPolarHBondContact CE1-OG1 2.98Å; Y133-T137 VanDerWaalsContact CZ-OG1 3.31Å; Y133-T137 WeakPolarHBondContact O-CB 3.33Å; Y133-T137 PolarHBondContact O-N 3.47Å; Y133-T137 PolarHBondContact O-OG1 2.78Å; Y133-L235 WeakPolarHBondContact OH-CB 3.49Å; Y133-Q239 PolarHBondContact OH-NE2 2.97Å |
| 134 | V | 86.6 | Confident | 88.4 | Confident | 24 Ų | 24 | 31.2 Ų | 31.2 | 15% | 0.145 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -58.3 | -45.1 | -179.8 | 166.9 | 0 | 0 | 0 | 0 | 111.3 | R130 S131 L136 S138 M242 | R130-V134 WeakPolarHBondContact O-CG2 3.25Å; R130-V134 PolarHBondContact O-N 3.35Å; S131-V134 PolarHBondContact O-N 3.02Å; V134-L136 PolarHBondContact O-N 2.76Å; V134-S138 WeakPolarHBondContact O-CB 3.22Å; V134-S138 PolarHBondContact O-N 3.46Å; V134-S138 PolarHBondContact O-OG 2.92Å; V134-M242 HydrophobicContact CB-SD 3.97Å; V134-M242 HydrophobicContact CG1-CB 4.18Å; V134-M242 HydrophobicContact CG1-CG 4.33Å; V134-M242 HydrophobicContact CG1-SD 3.69Å; V134-M242 HydrophobicContact CG2-CB 4.45Å; V134-M242 HydrophobicContact CG2-CG 4.03Å; V134-M242 HydrophobicContact CG2-SD 3.78Å |
| 135 | S | 88.3 | Confident | 89 | Confident | 45 Ų | 45 | 30.4 Ų | 30.4 | 32% | 0.315 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -62.7 | -42.8 | 178.8 | -177.9 | 0 | 0 | 0 | 0 | 112.1 | R53 S131 Q132 Y133 A139 | R53-S135 PolarHBondContact NH2-OG 3.1Å; S131-S135 WeakPolarHBondContact O-CB 3.43Å; S131-S135 PolarHBondContact O-N 3.36Å; Q132-S135 PolarHBondContact O-N 3.07Å; Y133-S135 VanDerWaalsContact C-N 3.32Å; Y133-S135 PolarHBondContact O-N 2.76Å; S135-A139 WeakPolarHBondContact O-CB 3.38Å; S135-A139 PolarHBondContact O-N 3.23Å |
| 136 | L | 92.5 | Very high | 89.5 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -71.2 | -41.9 | -179.5 | -75.9 | 165.3 | 0 | 0 | 0 | 112.2 | A49 M52 R53 M56 L105 M108 Q132 Y133 V134 S138 A139 F140 | A49-L136 HydrophobicContact CB-CD1 3.8Å; M52-L136 HydrophobicContact CB-CD2 3.91Å; M52-L136 HydrophobicContact CE-CD1 3.68Å; M52-L136 HydrophobicContact SD-CD1 4.43Å; R53-L136 HydrophobicContact CG-CD2 3.59Å; M56-L136 HydrophobicContact CE-CB 4.11Å; M56-L136 HydrophobicContact CE-CD2 3.83Å; M56-L136 WeakPolarHBondContact CE-O 3.5Å; M56-L136 HydrophobicContact SD-CD2 4.05Å; L105-L136 HydrophobicContact CD2-CB 3.71Å; M108-L136 HydrophobicContact CE-CB 4.17Å; M108-L136 HydrophobicContact CE-CD1 3.46Å; M108-L136 VanDerWaalsContact CE-CD1 3.46Å; M108-L136 HydrophobicContact CE-CG 4.44Å; M108-L136 HydrophobicContact SD-CD1 3.94Å; Q132-L136 HydrophobicContact CB-CD1 4.47Å; Q132-L136 VanDerWaalsContact O-CB 3.28Å; Q132-L136 WeakPolarHBondContact O-CB 3.42Å; Q132-L136 WeakPolarHBondContact O-CD1 3.26Å; Q132-L136 VanDerWaalsContact O-CG 3.23Å; Q132-L136 WeakPolarHBondContact O-CG 3.48Å; Q132-L136 PolarHBondContact O-N 3.49Å; Y133-L136 PolarHBondContact O-N 3.1Å; V134-L136 PolarHBondContact O-N 2.76Å; L136-S138 VanDerWaalsContact C-N 3.31Å; L136-S138 PolarHBondContact O-N 3.49Å; L136-A139 PolarHBondContact O-N 3Å; L136-F140 WeakPolarHBondContact O-CB 3.44Å; L136-F140 PolarHBondContact O-N 2.81Å |
| 137 | T | 91.4 | Very high | 89.9 | Confident | 2 Ų | 2 | 32.4 Ų | 32.4 | 1% | 0.012 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -59.3 | -43.2 | 174.7 | -62.9 | 0 | 0 | 0 | 0 | 111 | Y133 F140 H141 L232 V236 M242 | Y133-T137 HydrophobicContact CE1-CG2 4.34Å; Y133-T137 WeakPolarHBondContact CE1-OG1 2.98Å; Y133-T137 VanDerWaalsContact CZ-OG1 3.31Å; Y133-T137 WeakPolarHBondContact O-CB 3.33Å; Y133-T137 PolarHBondContact O-N 3.47Å; Y133-T137 PolarHBondContact O-OG1 2.78Å; T137-F140 PolarHBondContact O-N 3.29Å; T137-H141 WeakPolarHBondContact O-CB 3.46Å; T137-H141 PolarHBondContact O-N 3.02Å; T137-L232 HydrophobicContact CG2-CD1 3.61Å; T137-V236 HydrophobicContact CG2-CG2 3.91Å; T137-M242 HydrophobicContact CG2-CE 4.45Å; T137-M242 HydrophobicContact CG2-SD 4.43Å |
| 138 | S | 88.8 | Confident | 90.4 | Very high | 56 Ų | 56 | 32.2 Ų | 32.2 | 39% | 0.392 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -64.8 | -43.4 | 175.7 | -57.1 | 0 | 0 | 0 | 0 | 112.3 | V134 L136 F140 H141 E142 | V134-S138 WeakPolarHBondContact O-CB 3.22Å; V134-S138 PolarHBondContact O-N 3.46Å; V134-S138 PolarHBondContact O-OG 2.92Å; L136-S138 VanDerWaalsContact C-N 3.31Å; L136-S138 PolarHBondContact O-N 3.49Å; S138-F140 VanDerWaalsContact C-N 3.32Å; S138-F140 PolarHBondContact O-N 3.35Å; S138-H141 WeakPolarHBondContact O-CB 3.42Å; S138-H141 PolarHBondContact O-N 3.06Å; S138-E142 PolarHBondContact O-N 3.35Å; S138-E142 VanDerWaalsContact O-N 3.07Å |
| 139 | A | 91.6 | Very high | 90.8 | Very high | 26 Ų | 26 | 37.2 Ų | 37.2 | 22% | 0.215 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.5 | -35.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | M56 S135 L136 A143 | M56-A139 HydrophobicContact SD-CB 3.8Å; S135-A139 WeakPolarHBondContact O-CB 3.38Å; S135-A139 PolarHBondContact O-N 3.23Å; L136-A139 PolarHBondContact O-N 3Å; A139-A143 PolarHBondContact O-N 2.66Å; A139-A143 VanDerWaalsContact O-N 3.1Å |
| 140 | F | 93.4 | Very high | 91 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -67.7 | -45.2 | 174.5 | -173.3 | -125.3 | 0 | 0 | 0 | 111.7 | M56 L59 G98 I101 L105 L136 T137 S138 E142 A143 I144 L232 | M56-F140 HydrophobicContact CE-CB 3.84Å; M56-F140 HydrophobicContact SD-CB 4.39Å; L59-F140 HydrophobicContact CD2-CE2 4.24Å; G98-F140 WeakPolarHBondContact O-CZ 3.46Å; I101-F140 HydrophobicContact CB-CD2 4.16Å; I101-F140 HydrophobicContact CB-CE2 3.87Å; I101-F140 HydrophobicContact CB-CZ 4.48Å; I101-F140 HydrophobicContact CD1-CD2 4.46Å; I101-F140 HydrophobicContact CD1-CE2 4.33Å; I101-F140 HydrophobicContact CG2-CD2 3.44Å; I101-F140 VanDerWaalsContact CG2-CD2 3.44Å; I101-F140 HydrophobicContact CG2-CE2 3.67Å; I101-F140 HydrophobicContact CG2-CG 3.96Å; I101-F140 HydrophobicContact CG2-CZ 4.35Å; L105-F140 HydrophobicContact CD1-CB 3.81Å; L105-F140 HydrophobicContact CD1-CD1 3.63Å; L105-F140 HydrophobicContact CD1-CE1 4.41Å; L105-F140 HydrophobicContact CD1-CG 3.84Å; L136-F140 WeakPolarHBondContact O-CB 3.44Å; L136-F140 PolarHBondContact O-N 2.81Å; T137-F140 PolarHBondContact O-N 3.29Å; S138-F140 VanDerWaalsContact C-N 3.32Å; S138-F140 PolarHBondContact O-N 3.35Å; F140-E142 VanDerWaalsContact C-N 3.28Å; F140-E142 PolarHBondContact O-N 3.2Å; F140-A143 PolarHBondContact O-N 2.91Å; F140-A143 VanDerWaalsContact O-N 3.1Å; F140-I144 HydrophobicContact CD1-CG1 4.39Å; F140-I144 HydrophobicContact CD2-CD1 4.47Å; F140-I144 HydrophobicContact CD2-CG1 4.05Å; F140-I144 HydrophobicContact CE1-CG1 4.04Å; F140-I144 HydrophobicContact CE2-CD1 3.7Å; F140-I144 HydrophobicContact CE2-CG1 3.66Å; F140-I144 HydrophobicContact CG-CG1 4.41Å; F140-I144 HydrophobicContact CZ-CD1 3.79Å; F140-I144 HydrophobicContact CZ-CG1 3.66Å; F140-I144 WeakPolarHBondContact O-CG1 3.41Å; F140-I144 PolarHBondContact O-N 2.92Å; F140-L232 HydrophobicContact CD1-CD1 4.02Å; F140-L232 HydrophobicContact CD1-CD2 4.04Å |
| 141 | H | 91.9 | Very high | 91.2 | Very high | 94 Ų | 94 | 34.4 Ų | 34.4 | 44% | 0.435 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -53 | -47.6 | 174.1 | 179.5 | -88.2 | 0 | 0 | 0 | 111.5 | T137 S138 A143 I144 S145 F229 L232 | T137-H141 WeakPolarHBondContact O-CB 3.46Å; T137-H141 PolarHBondContact O-N 3.02Å; S138-H141 WeakPolarHBondContact O-CB 3.42Å; S138-H141 PolarHBondContact O-N 3.06Å; H141-A143 PolarHBondContact O-N 2.87Å; H141-I144 PolarHBondContact O-N 3.36Å; H141-S145 PolarHBondContact CE1-OG 3.43Å; H141-S145 VanDerWaalsContact O-CB 3.31Å; H141-S145 WeakPolarHBondContact O-CB 3.35Å; H141-S145 PolarHBondContact O-N 2.93Å; H141-S145 PolarHBondContact O-OG 3.1Å; H141-F229 AromaticContact NE2-CE1 4Å; H141-L232 HydrophobicContact CB-CD2 3.65Å |
| 142 | E | 91.8 | Very high | 91.6 | Very high | 104 Ų | 104 | 35.3 Ų | 35.3 | 49% | 0.486 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -61 | -44.4 | 177.6 | -167.3 | -167.5 | -172.9 | 0 | 0 | 111.6 | K60 S138 F140 S145 E146 | K60-E142 IonicContact NZ-OE1 2.59Å; K60-E142 PolarHBondContact NZ-OE1 3.29Å; K60-E142 IonicContact NZ-OE2 2.87Å; K60-E142 PolarHBondContact NZ-OE2 3.34Å; S138-E142 PolarHBondContact O-N 3.35Å; S138-E142 VanDerWaalsContact O-N 3.07Å; F140-E142 VanDerWaalsContact C-N 3.28Å; F140-E142 PolarHBondContact O-N 3.2Å; E142-S145 PolarHBondContact O-N 3.37Å; E142-E146 PolarHBondContact O-N 2.91Å |
| 143 | A | 93.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65.3 | -40.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | L59 K60 A139 F140 H141 S145 E146 F147 | L59-A143 HydrophobicContact CD2-CB 3.98Å; K60-A143 HydrophobicContact CD-CB 4.39Å; K60-A143 HydrophobicContact CG-CB 3.79Å; A139-A143 PolarHBondContact O-N 2.66Å; A139-A143 VanDerWaalsContact O-N 3.1Å; F140-A143 PolarHBondContact O-N 2.91Å; F140-A143 VanDerWaalsContact O-N 3.1Å; H141-A143 PolarHBondContact O-N 2.87Å; A143-S145 VanDerWaalsContact C-N 3.35Å; A143-E146 PolarHBondContact O-N 3.3Å; A143-F147 PolarHBondContact O-N 3.5Å; A143-F147 VanDerWaalsContact O-N 3.1Å |
| 144 | I | 92.4 | Very high | 91.7 | Very high | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -70 | -34.4 | 175.7 | -62.7 | -59.8 | 0 | 0 | 0 | 111 | L59 F140 H141 F147 N148 I225 L228 F229 | L59-I144 HydrophobicContact CD2-CD1 4.06Å; F140-I144 HydrophobicContact CD1-CG1 4.39Å; F140-I144 HydrophobicContact CD2-CD1 4.47Å; F140-I144 HydrophobicContact CD2-CG1 4.05Å; F140-I144 HydrophobicContact CE1-CG1 4.04Å; F140-I144 HydrophobicContact CE2-CD1 3.7Å; F140-I144 HydrophobicContact CE2-CG1 3.66Å; F140-I144 HydrophobicContact CG-CG1 4.41Å; F140-I144 HydrophobicContact CZ-CD1 3.79Å; F140-I144 HydrophobicContact CZ-CG1 3.66Å; F140-I144 WeakPolarHBondContact O-CG1 3.41Å; F140-I144 PolarHBondContact O-N 2.92Å; H141-I144 PolarHBondContact O-N 3.36Å; I144-F147 WeakPolarHBondContact O-CB 3.37Å; I144-F147 PolarHBondContact O-N 3.46Å; I144-N148 PolarHBondContact O-N 3.45Å; I144-I225 HydrophobicContact CG2-CG2 3.89Å; I144-L228 HydrophobicContact CD1-CD1 3.91Å; I144-F229 HydrophobicContact CB-CZ 4.48Å; I144-F229 HydrophobicContact CG2-CD1 4.24Å; I144-F229 HydrophobicContact CG2-CD2 4.04Å; I144-F229 HydrophobicContact CG2-CE1 3.99Å; I144-F229 HydrophobicContact CG2-CE2 3.79Å; I144-F229 HydrophobicContact CG2-CG 4.26Å; I144-F229 HydrophobicContact CG2-CZ 3.77Å |
| 145 | S | 92.8 | Very high | 91.9 | Very high | 38 Ų | 38 | 39.6 Ų | 39.6 | 27% | 0.266 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -63.9 | -45.2 | 172.7 | -60.1 | 0 | 0 | 0 | 0 | 112.5 | H141 E142 A143 F147 N148 E149 | H141-S145 PolarHBondContact CE1-OG 3.43Å; H141-S145 VanDerWaalsContact O-CB 3.31Å; H141-S145 WeakPolarHBondContact O-CB 3.35Å; H141-S145 PolarHBondContact O-N 2.93Å; H141-S145 PolarHBondContact O-OG 3.1Å; E142-S145 PolarHBondContact O-N 3.37Å; A143-S145 VanDerWaalsContact C-N 3.35Å; S145-F147 VanDerWaalsContact C-N 3.26Å; S145-F147 PolarHBondContact O-N 3.34Å; S145-N148 PolarHBondContact O-N 3.39Å; S145-E149 PolarHBondContact O-N 3.46Å |
| 146 | E | 92.8 | Very high | 92.1 | Very high | 49 Ų | 49 | 40.3 Ų | 40.3 | 23% | 0.229 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.3 | -37.8 | 173.1 | -75.4 | -178.9 | -131.3 | 0 | 0 | 111.6 | K60 E142 A143 A150 | K60-E146 WeakPolarHBondContact CD-OE1 3.31Å; K60-E146 VanDerWaalsContact CE-OE1 3.23Å; K60-E146 WeakPolarHBondContact CE-OE1 3.33Å; K60-E146 IonicContact NZ-OE1 3.81Å; K60-E146 PolarHBondContact NZ-OE1 2.96Å; E142-E146 PolarHBondContact O-N 2.91Å; A143-E146 PolarHBondContact O-N 3.3Å; E146-A150 WeakPolarHBondContact O-CB 3.48Å; E146-A150 PolarHBondContact O-N 3.46Å; E146-A150 VanDerWaalsContact O-N 3.09Å |
| 147 | F | 92.7 | Very high | 92 | Very high | 5 Ų | 5 | 42.8 Ų | 42.8 | 2% | 0.022 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -66.3 | -46.6 | 176.4 | -176.9 | -151.5 | 0 | 0 | 0 | 112.1 | V63 M66 I94 A143 I144 S145 E149 A150 E151 I225 | V63-F147 HydrophobicContact CG1-CB 4.34Å; V63-F147 HydrophobicContact CG1-CD2 4.41Å; V63-F147 HydrophobicContact CG2-CB 3.68Å; V63-F147 HydrophobicContact CG2-CD2 3.84Å; V63-F147 HydrophobicContact CG2-CG 3.88Å; M66-F147 HydrophobicContact CE-CD2 3.87Å; M66-F147 HydrophobicContact CE-CE2 3.47Å; M66-F147 VanDerWaalsContact CE-CE2 3.47Å; M66-F147 HydrophobicContact SD-CE2 4.14Å; I94-F147 HydrophobicContact CB-CE1 4.4Å; I94-F147 HydrophobicContact CB-CZ 4.28Å; I94-F147 HydrophobicContact CD1-CE2 4.19Å; I94-F147 HydrophobicContact CG2-CD1 3.52Å; I94-F147 HydrophobicContact CG2-CD2 4.1Å; I94-F147 HydrophobicContact CG2-CE1 3.35Å; I94-F147 HydrophobicContact CG2-CE2 3.94Å; I94-F147 HydrophobicContact CG2-CG 3.92Å; I94-F147 HydrophobicContact CG2-CZ 3.59Å; A143-F147 PolarHBondContact O-N 3.5Å; A143-F147 VanDerWaalsContact O-N 3.1Å; I144-F147 WeakPolarHBondContact O-CB 3.37Å; I144-F147 PolarHBondContact O-N 3.46Å; S145-F147 VanDerWaalsContact C-N 3.26Å; S145-F147 PolarHBondContact O-N 3.34Å; F147-E149 VanDerWaalsContact C-N 3.34Å; F147-E149 PolarHBondContact O-N 3.16Å; F147-A150 PolarHBondContact O-N 3.38Å; F147-E151 HydrophobicContact CD2-CG 3.93Å; F147-E151 HydrophobicContact CE2-CG 3.59Å; F147-E151 VanDerWaalsContact CE2-OE1 3.29Å; F147-E151 WeakPolarHBondContact CE2-OE1 3.34Å; F147-E151 HydrophobicContact CZ-CG 4.27Å; F147-E151 PolarHBondContact O-N 3.38Å; F147-I225 HydrophobicContact CB-CD1 4.5Å; F147-I225 HydrophobicContact CD1-CD1 3.37Å; F147-I225 HydrophobicContact CD1-CG1 3.38Å; F147-I225 HydrophobicContact CD2-CD1 4.03Å; F147-I225 HydrophobicContact CE1-CD1 3.35Å; F147-I225 HydrophobicContact CE1-CG1 3.25Å; F147-I225 HydrophobicContact CE2-CD1 4.01Å; F147-I225 HydrophobicContact CG-CD1 3.71Å; F147-I225 HydrophobicContact CG-CG1 4.22Å; F147-I225 HydrophobicContact CZ-CD1 3.68Å; F147-I225 HydrophobicContact CZ-CG1 4.02Å |
| 148 | N | 93.4 | Very high | 91.8 | Very high | 43 Ų | 43 | 42.7 Ų | 42.7 | 23% | 0.23 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -58.1 | -47 | 176.3 | -172.7 | 57.2 | 0 | 0 | 0 | 111.8 | I144 S145 A150 E151 M152 I225 F229 | I144-N148 PolarHBondContact O-N 3.45Å; S145-N148 PolarHBondContact O-N 3.39Å; N148-A150 VanDerWaalsContact C-N 3.33Å; N148-A150 PolarHBondContact O-N 3.34Å; N148-E151 PolarHBondContact O-N 2.97Å; N148-M152 WeakPolarHBondContact O-CB 3.34Å; N148-M152 VanDerWaalsContact O-CG 3.28Å; N148-M152 WeakPolarHBondContact O-CG 3.16Å; N148-M152 PolarHBondContact O-N 3.25Å; N148-I225 HydrophobicContact CB-CG2 3.89Å; N148-F229 HydrophobicContact CB-CE2 3.88Å; N148-F229 HydrophobicContact CB-CZ 4.33Å |
| 149 | E | 93.6 | Very high | 91.9 | Very high | 124 Ų | 124 | 40.4 Ų | 40.4 | 58% | 0.579 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -59.3 | -44.7 | 178 | -174.3 | 176.9 | -167.5 | 0 | 0 | 111.5 | S145 F147 E151 M152 I153 | S145-E149 PolarHBondContact O-N 3.46Å; F147-E149 VanDerWaalsContact C-N 3.34Å; F147-E149 PolarHBondContact O-N 3.16Å; E149-E151 VanDerWaalsContact C-N 3.34Å; E149-E151 PolarHBondContact O-N 3.42Å; E149-M152 PolarHBondContact O-N 2.98Å; E149-I153 HydrophobicContact CG-CD1 4.04Å; E149-I153 VanDerWaalsContact O-CG1 3.27Å; E149-I153 WeakPolarHBondContact O-CG1 3.41Å; E149-I153 PolarHBondContact O-N 3.49Å |
| 150 | A | 92.1 | Very high | 91.9 | Very high | 22 Ų | 22 | 42.1 Ų | 42.1 | 18% | 0.182 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.3 | -40.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | V63 E146 F147 N148 Q154 | V63-A150 HydrophobicContact CG1-CB 3.95Å; E146-A150 WeakPolarHBondContact O-CB 3.48Å; E146-A150 PolarHBondContact O-N 3.46Å; E146-A150 VanDerWaalsContact O-N 3.09Å; F147-A150 PolarHBondContact O-N 3.38Å; N148-A150 VanDerWaalsContact C-N 3.33Å; N148-A150 PolarHBondContact O-N 3.34Å; A150-Q154 PolarHBondContact O-N 3.09Å |
| 151 | E | 91.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -70.9 | -40.6 | 176.7 | -69.2 | -68.5 | -159.2 | 0 | 0 | 111.8 | M66 F147 N148 E149 I153 Q154 R155 L218 R221 I222 I225 | M66-E151 HydrophobicContact CE-CG 4.29Å; M66-E151 WeakPolarHBondContact CE-OE1 3.39Å; F147-E151 HydrophobicContact CD2-CG 3.93Å; F147-E151 HydrophobicContact CE2-CG 3.59Å; F147-E151 VanDerWaalsContact CE2-OE1 3.29Å; F147-E151 WeakPolarHBondContact CE2-OE1 3.34Å; F147-E151 HydrophobicContact CZ-CG 4.27Å; F147-E151 PolarHBondContact O-N 3.38Å; N148-E151 PolarHBondContact O-N 2.97Å; E149-E151 VanDerWaalsContact C-N 3.34Å; E149-E151 PolarHBondContact O-N 3.42Å; E151-I153 VanDerWaalsContact C-N 3.34Å; E151-I153 PolarHBondContact O-N 3.27Å; E151-Q154 PolarHBondContact O-N 3.1Å; E151-Q154 VanDerWaalsContact O-N 3.1Å; E151-R155 PolarHBondContact O-N 3.06Å; E151-L218 HydrophobicContact CB-CD1 3.68Å; E151-L218 VanDerWaalsContact CD-CD1 3.43Å; E151-L218 HydrophobicContact CG-CD1 4.05Å; E151-L218 WeakPolarHBondContact OE2-CD1 3.45Å; E151-R221 WeakPolarHBondContact OE1-CD 3.41Å; E151-R221 IonicContact OE1-CZ 2.81Å; E151-R221 IonicContact OE1-NE 3.34Å; E151-R221 PolarHBondContact OE1-NE 3.49Å; E151-R221 IonicContact OE1-NH2 2.69Å; E151-R221 PolarHBondContact OE1-NH2 3.31Å; E151-R221 IonicContact OE2-CZ 2.7Å; E151-R221 IonicContact OE2-NE 3.77Å; E151-R221 IonicContact OE2-NH2 3.51Å; E151-R221 PolarHBondContact OE2-NH2 3.39Å; E151-I222 HydrophobicContact CB-CD1 4.5Å; E151-I222 HydrophobicContact CB-CG1 3.98Å; E151-I225 HydrophobicContact CB-CD1 4.39Å; E151-I225 HydrophobicContact CG-CD1 3.88Å |
| 152 | M | 92.9 | Very high | 91.5 | Very high | 79 Ų | 79 | 41 Ų | 41 | 39% | 0.389 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -63.2 | -38.9 | 175.8 | -70.6 | -57.3 | -67.7 | 0 | 0 | 112.4 | N148 E149 Q154 R155 E156 I222 | N148-M152 WeakPolarHBondContact O-CB 3.34Å; N148-M152 VanDerWaalsContact O-CG 3.28Å; N148-M152 WeakPolarHBondContact O-CG 3.16Å; N148-M152 PolarHBondContact O-N 3.25Å; E149-M152 PolarHBondContact O-N 2.98Å; M152-Q154 VanDerWaalsContact C-N 3.32Å; M152-Q154 PolarHBondContact O-N 2.96Å; M152-R155 WeakPolarHBondContact O-CB 3.42Å; M152-R155 PolarHBondContact O-N 3.09Å; M152-E156 PolarHBondContact O-N 2.87Å; M152-I222 HydrophobicContact SD-CD1 3.85Å |
| 153 | I | 92 | Very high | 91.4 | Very high | 91 Ų | 91 | 38.4 Ų | 38.4 | 47% | 0.467 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -60.7 | -43.6 | 172 | -70.6 | 165.2 | 0 | 0 | 0 | 110.4 | E149 E151 R155 E156 N157 | E149-I153 HydrophobicContact CG-CD1 4.04Å; E149-I153 VanDerWaalsContact O-CG1 3.27Å; E149-I153 WeakPolarHBondContact O-CG1 3.41Å; E149-I153 PolarHBondContact O-N 3.49Å; E151-I153 VanDerWaalsContact C-N 3.34Å; E151-I153 PolarHBondContact O-N 3.27Å; I153-R155 VanDerWaalsContact C-N 3.31Å; I153-R155 PolarHBondContact O-N 2.93Å; I153-E156 PolarHBondContact O-N 3.12Å; I153-N157 VanDerWaalsContact O-CG 3.23Å; I153-N157 PolarHBondContact O-N 3.49Å; I153-N157 PolarHBondContact O-ND2 3Å |
| 154 | Q | 89 | Confident | 91.3 | Very high | 4 Ų | 4 | 46.6 Ų | 46.6 | 2% | 0.019 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -65.8 | -36.1 | 177.8 | -173.7 | 62.1 | 3.1 | 0 | 0 | 112.1 | N70 A150 E151 M152 E156 N157 C158 E214 L218 | N70-Q154 HydrophobicContact CB-CG 4.26Å; A150-Q154 PolarHBondContact O-N 3.09Å; E151-Q154 PolarHBondContact O-N 3.1Å; E151-Q154 VanDerWaalsContact O-N 3.1Å; M152-Q154 VanDerWaalsContact C-N 3.32Å; M152-Q154 PolarHBondContact O-N 2.96Å; Q154-E156 VanDerWaalsContact C-N 3.34Å; Q154-E156 PolarHBondContact O-N 2.78Å; Q154-N157 PolarHBondContact O-N 3.04Å; Q154-C158 PolarHBondContact O-N 3.39Å; Q154-C158 PolarHBondContact O-SG 3.32Å; Q154-E214 PolarHBondContact NE2-OE1 3.37Å; Q154-L218 HydrophobicContact CB-CD2 4.3Å; Q154-L218 HydrophobicContact CG-CD2 4.36Å |
| 155 | R | 91.5 | Very high | 91 | Very high | 48 Ų | 48 | 48 Ų | 48 | 18% | 0.181 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -58.8 | -50.5 | 176.8 | -169.6 | -178.3 | 177.4 | -99.2 | -7.3 | 110.3 | E151 M152 I153 N157 C158 K159 D179 L215 L218 E219 | E151-R155 PolarHBondContact O-N 3.06Å; M152-R155 WeakPolarHBondContact O-CB 3.42Å; M152-R155 PolarHBondContact O-N 3.09Å; I153-R155 VanDerWaalsContact C-N 3.31Å; I153-R155 PolarHBondContact O-N 2.93Å; R155-N157 VanDerWaalsContact C-N 3.34Å; R155-N157 PolarHBondContact O-N 3.47Å; R155-C158 PolarHBondContact O-N 3.15Å; R155-K159 VanDerWaalsContact CZ-CE 3.48Å; R155-K159 WeakPolarHBondContact O-CG 3.38Å; R155-K159 PolarHBondContact O-N 3.41Å; R155-D179 IonicContact CZ-OD1 2.76Å; R155-D179 IonicContact NH1-OD1 2.78Å; R155-D179 IonicContact NH2-OD1 2.87Å; R155-D179 PolarHBondContact NH2-OD1 3.12Å; R155-L215 HydrophobicContact CG-CD2 3.87Å; R155-L218 HydrophobicContact CB-CD2 3.42Å; R155-L218 VanDerWaalsContact CB-CD2 3.42Å; R155-L218 HydrophobicContact CB-CG 4.42Å; R155-L218 HydrophobicContact CG-CD2 4.02Å; R155-E219 IonicContact CZ-OE1 3.01Å; R155-E219 IonicContact NE-OE1 2.6Å; R155-E219 PolarHBondContact NE-OE1 2.95Å; R155-E219 IonicContact NH2-OE1 2.77Å; R155-E219 PolarHBondContact NH2-OE1 3.21Å |
| 156 | E | 92.1 | Very high | 90.7 | Very high | 60 Ų | 60 | 46.1 Ų | 46.1 | 28% | 0.28 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -63.8 | -40.5 | 179.7 | -175.5 | 49.9 | -145.2 | 0 | 0 | 111.8 | M152 I153 Q154 C158 K159 N160 R175 | M152-E156 PolarHBondContact O-N 2.87Å; I153-E156 PolarHBondContact O-N 3.12Å; Q154-E156 VanDerWaalsContact C-N 3.34Å; Q154-E156 PolarHBondContact O-N 2.78Å; E156-C158 PolarHBondContact O-N 2.87Å; E156-K159 PolarHBondContact O-N 3.2Å; E156-N160 PolarHBondContact O-N 3.15Å; E156-N160 PolarHBondContact O-ND2 3.25Å; E156-N160 PolarHBondContact OE1-ND2 3.39Å; E156-N160 PolarHBondContact OE1-OD1 3.04Å; E156-R175 IonicContact OE1-CZ 3.16Å; E156-R175 IonicContact OE1-NH1 2.75Å; E156-R175 PolarHBondContact OE1-NH1 2.98Å; E156-R175 IonicContact OE1-NH2 2.72Å; E156-R175 PolarHBondContact OE1-NH2 2.86Å; E156-R175 IonicContact OE2-NH1 2.7Å; E156-R175 PolarHBondContact OE2-NH1 2.79Å |
| 157 | N | 90.1 | Very high | 90.5 | Very high | 52 Ų | 52 | 49 Ų | 49 | 28% | 0.278 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -61 | -42.2 | 174.6 | -72.3 | -31.3 | 0 | 0 | 0 | 112.9 | L74 I153 Q154 R155 R161 | L74-N157 HydrophobicContact CD1-CB 3.62Å; L74-N157 HydrophobicContact CD2-CB 4.39Å; I153-N157 VanDerWaalsContact O-CG 3.23Å; I153-N157 PolarHBondContact O-N 3.49Å; I153-N157 PolarHBondContact O-ND2 3Å; Q154-N157 PolarHBondContact O-N 3.04Å; R155-N157 VanDerWaalsContact C-N 3.34Å; R155-N157 PolarHBondContact O-N 3.47Å; N157-R161 WeakPolarHBondContact O-CG 3.33Å; N157-R161 PolarHBondContact O-N 3.35Å; N157-R161 VanDerWaalsContact O-N 3.11Å |
| 158 | C | 88.9 | Confident | 90.1 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.7 | -43.3 | 176.9 | -73.9 | 0 | 0 | 0 | 0 | 111.8 | Q154 R155 E156 R161 I162 E214 L215 | Q154-C158 PolarHBondContact O-N 3.39Å; Q154-C158 PolarHBondContact O-SG 3.32Å; R155-C158 PolarHBondContact O-N 3.15Å; E156-C158 PolarHBondContact O-N 2.87Å; C158-R161 PolarHBondContact O-N 3.45Å; C158-I162 WeakPolarHBondContact O-CG1 3.36Å; C158-I162 PolarHBondContact O-N 2.79Å; C158-E214 VanDerWaalsContact SG-CD 3.53Å; C158-L215 HydrophobicContact CB-CD1 4.09Å; C158-L215 HydrophobicContact CB-CD2 3.64Å; C158-L215 HydrophobicContact CB-CG 3.62Å |
| 159 | K | 90.9 | Very high | 89.6 | Confident | 9 Ų | 9 | 51.9 Ų | 51.9 | 4% | 0.039 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -58.5 | -50 | 175 | -71.4 | -177.1 | 170.7 | -166 | 0 | 112.2 | R155 E156 R161 I162 Q163 I178 D179 I182 L215 | R155-K159 VanDerWaalsContact CZ-CE 3.48Å; R155-K159 WeakPolarHBondContact O-CG 3.38Å; R155-K159 PolarHBondContact O-N 3.41Å; E156-K159 PolarHBondContact O-N 3.2Å; K159-R161 PolarHBondContact O-N 3.36Å; K159-I162 PolarHBondContact O-N 2.87Å; K159-I162 VanDerWaalsContact O-N 3.11Å; K159-Q163 PolarHBondContact O-N 3.17Å; K159-I178 HydrophobicContact CB-CG2 4.34Å; K159-I178 HydrophobicContact CG-CG2 3.94Å; K159-D179 WeakPolarHBondContact CE-OD1 3.36Å; K159-D179 IonicContact NZ-OD1 2.76Å; K159-D179 PolarHBondContact NZ-OD1 3.2Å; K159-D179 IonicContact NZ-OD2 3.45Å; K159-D179 PolarHBondContact NZ-OD2 3.24Å; K159-I182 HydrophobicContact CG-CD1 4.41Å; K159-L215 HydrophobicContact CG-CD2 4.49Å |
| 160 | N | 90.9 | Very high | 89.1 | Confident | 62 Ų | 62 | 49.3 Ų | 49.3 | 33% | 0.332 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -58.2 | -35.6 | 178.3 | -73.8 | -41.9 | 0 | 0 | 0 | 112.3 | E156 R164 R175 | E156-N160 PolarHBondContact O-N 3.15Å; E156-N160 PolarHBondContact O-ND2 3.25Å; E156-N160 PolarHBondContact OE1-ND2 3.39Å; E156-N160 PolarHBondContact OE1-OD1 3.04Å; N160-R164 WeakPolarHBondContact O-CB 3.01Å; N160-R164 PolarHBondContact O-N 3.04Å; N160-R175 PolarHBondContact OD1-NH2 3.11Å |
| 161 | R | 88.4 | Confident | 88.6 | Confident | 70 Ų | 70 | 50.1 Ų | 50.1 | 26% | 0.264 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -70.2 | -43.1 | 175.2 | -77.3 | -165.2 | 168 | -139.5 | -5.7 | 113.3 | L74 N157 C158 K159 Q163 R164 Q165 E207 R211 | L74-R161 PolarHBondContact O-NH1 2.93Å; L74-R161 PolarHBondContact O-NH2 3.18Å; N157-R161 WeakPolarHBondContact O-CG 3.33Å; N157-R161 PolarHBondContact O-N 3.35Å; N157-R161 VanDerWaalsContact O-N 3.11Å; C158-R161 PolarHBondContact O-N 3.45Å; K159-R161 PolarHBondContact O-N 3.36Å; R161-Q163 VanDerWaalsContact C-N 3.31Å; R161-R164 PolarHBondContact O-N 2.85Å; R161-Q165 WeakPolarHBondContact O-CB 3.44Å; R161-Q165 VanDerWaalsContact O-CG 3.29Å; R161-Q165 WeakPolarHBondContact O-CG 3.18Å; R161-Q165 PolarHBondContact O-N 3.14Å; R161-E207 IonicContact NH1-OE1 3.78Å; R161-E207 PolarHBondContact NH1-OE1 3.47Å; R161-R211 HydrophobicContact CB-CG 4.14Å |
| 162 | I | 88.3 | Confident | 88.3 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60 | -47.2 | 177 | -70.7 | 171.3 | 0 | 0 | 0 | 109.6 | C158 K159 R164 Q165 A166 I178 M181 F190 I208 R211 L215 | C158-I162 WeakPolarHBondContact O-CG1 3.36Å; C158-I162 PolarHBondContact O-N 2.79Å; K159-I162 PolarHBondContact O-N 2.87Å; K159-I162 VanDerWaalsContact O-N 3.11Å; I162-R164 PolarHBondContact O-N 2.87Å; I162-Q165 PolarHBondContact O-N 3Å; I162-A166 WeakPolarHBondContact O-CB 3.46Å; I162-A166 PolarHBondContact O-N 3.2Å; I162-I178 HydrophobicContact CB-CD1 4.44Å; I162-I178 HydrophobicContact CG2-CD1 4.09Å; I162-I178 HydrophobicContact CG2-CG1 4.18Å; I162-I178 HydrophobicContact CG2-CG2 4.49Å; I162-M181 HydrophobicContact CD1-CE 3.86Å; I162-M181 HydrophobicContact CG2-CE 4.02Å; I162-F190 HydrophobicContact CG2-CE2 4.31Å; I162-F190 HydrophobicContact CG2-CZ 3.96Å; I162-I208 HydrophobicContact CG2-CG2 4.18Å; I162-R211 HydrophobicContact CD1-CB 3.8Å; I162-R211 HydrophobicContact CG1-CB 3.56Å; I162-R211 HydrophobicContact CG1-CG 4.3Å; I162-L215 HydrophobicContact CD1-CD1 3.4Å |
| 163 | Q | 90.9 | Very high | 87.9 | Confident | 49 Ų | 49 | 56 Ų | 56 | 23% | 0.229 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -56.7 | -49.7 | 176.6 | -171.6 | 176.8 | -8.1 | 0 | 0 | 111.5 | K159 R161 Q165 A166 E167 I178 | K159-Q163 PolarHBondContact O-N 3.17Å; R161-Q163 VanDerWaalsContact C-N 3.31Å; Q163-Q165 VanDerWaalsContact C-N 3.35Å; Q163-Q165 PolarHBondContact O-N 3.49Å; Q163-A166 VanDerWaalsContact O-CB 3.29Å; Q163-A166 WeakPolarHBondContact O-CB 3.47Å; Q163-A166 PolarHBondContact O-N 2.9Å; Q163-A166 VanDerWaalsContact O-N 3.17Å; Q163-E167 WeakPolarHBondContact O-CG 3.35Å; Q163-E167 PolarHBondContact O-N 3.36Å; Q163-I178 HydrophobicContact CB-CD1 3.82Å |
| 164 | R | 89.6 | Confident | 87.7 | Confident | 172 Ų | 172 | 53.8 Ų | 53.8 | 65% | 0.649 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -62.4 | -38.9 | 178.8 | -174.2 | 171.3 | -177.4 | 164.9 | 2.7 | 113.3 | N160 R161 I162 A166 E167 I168 | N160-R164 WeakPolarHBondContact O-CB 3.01Å; N160-R164 PolarHBondContact O-N 3.04Å; R161-R164 PolarHBondContact O-N 2.85Å; I162-R164 PolarHBondContact O-N 2.87Å; R164-A166 VanDerWaalsContact C-N 3.33Å; R164-E167 PolarHBondContact O-N 3.34Å; R164-I168 WeakPolarHBondContact O-CG1 3.4Å; R164-I168 PolarHBondContact O-N 3.05Å |
| 165 | Q | 87.1 | Confident | 87.6 | Confident | 30 Ų | 30 | 58.1 Ų | 58.1 | 14% | 0.14 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -71.1 | -31.7 | 177.4 | -67.5 | -61 | -23.9 | 0 | 0 | 111.8 | R161 I162 Q163 I168 M169 A204 E207 I208 | R161-Q165 WeakPolarHBondContact O-CB 3.44Å; R161-Q165 VanDerWaalsContact O-CG 3.29Å; R161-Q165 WeakPolarHBondContact O-CG 3.18Å; R161-Q165 PolarHBondContact O-N 3.14Å; I162-Q165 PolarHBondContact O-N 3Å; Q163-Q165 VanDerWaalsContact C-N 3.35Å; Q163-Q165 PolarHBondContact O-N 3.49Å; Q165-I168 PolarHBondContact O-N 3.48Å; Q165-M169 WeakPolarHBondContact O-CG 3.36Å; Q165-M169 PolarHBondContact O-N 2.87Å; Q165-A204 HydrophobicContact CB-CB 4.38Å; Q165-E207 HydrophobicContact CG-CB 4.2Å; Q165-E207 HydrophobicContact CG-CG 4.12Å; Q165-E207 VanDerWaalsContact NE2-CD 3.31Å; Q165-E207 PolarHBondContact NE2-OE2 2.89Å; Q165-I208 HydrophobicContact CB-CD1 3.82Å; Q165-I208 HydrophobicContact CB-CG1 3.52Å; Q165-I208 HydrophobicContact CG-CG1 4.46Å |
| 166 | A | 87.2 | Confident | 87.4 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62.7 | -45.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | I162 Q163 R164 I168 M169 G170 K171 V173 F190 | I162-A166 WeakPolarHBondContact O-CB 3.46Å; I162-A166 PolarHBondContact O-N 3.2Å; Q163-A166 VanDerWaalsContact O-CB 3.29Å; Q163-A166 WeakPolarHBondContact O-CB 3.47Å; Q163-A166 PolarHBondContact O-N 2.9Å; Q163-A166 VanDerWaalsContact O-N 3.17Å; R164-A166 VanDerWaalsContact C-N 3.33Å; A166-I168 VanDerWaalsContact C-N 3.29Å; A166-I168 PolarHBondContact O-N 2.94Å; A166-M169 CarbonylContact O-C 3.48Å; A166-M169 WeakPolarHBondContact O-CA 3.18Å; A166-M169 WeakPolarHBondContact O-CB 3.34Å; A166-M169 PolarHBondContact O-N 2.85Å; A166-G170 PolarHBondContact O-N 3.44Å; A166-K171 CarbonylContact C-O 3.18Å; A166-K171 PolarHBondContact O-N 3.35Å; A166-V173 HydrophobicContact CB-CB 4.13Å; A166-V173 HydrophobicContact CB-CG2 3.73Å; A166-F190 HydrophobicContact CB-CD1 4.46Å; A166-F190 HydrophobicContact CB-CE1 3.55Å; A166-F190 HydrophobicContact CB-CZ 4.3Å |
| 167 | E | 88 | Confident | 87.2 | Confident | 110 Ų | 110 | 62.8 Ų | 62.8 | 51% | 0.514 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -60.7 | -37.4 | 177.1 | -70.5 | 168 | -170.8 | 0 | 0 | 111.9 | Q163 R164 M169 G170 K171 | Q163-E167 WeakPolarHBondContact O-CG 3.35Å; Q163-E167 PolarHBondContact O-N 3.36Å; R164-E167 PolarHBondContact O-N 3.34Å; E167-M169 PolarHBondContact O-N 3.37Å; E167-G170 WeakPolarHBondContact O-CA 3.33Å; E167-G170 PolarHBondContact O-N 3.05Å; E167-K171 PolarHBondContact N-O 3.22Å |
| 168 | I | 85.1 | Confident | 87 | Confident | 90 Ų | 90 | 60.3 Ų | 60.3 | 46% | 0.462 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63.2 | -32.5 | 174.2 | -68.9 | 166.1 | 0 | 0 | 0 | 111.6 | R164 Q165 A166 G170 T200 A204 | R164-I168 WeakPolarHBondContact O-CG1 3.4Å; R164-I168 PolarHBondContact O-N 3.05Å; Q165-I168 PolarHBondContact O-N 3.48Å; A166-I168 VanDerWaalsContact C-N 3.29Å; A166-I168 PolarHBondContact O-N 2.94Å; I168-G170 PolarHBondContact O-N 2.97Å; I168-T200 HydrophobicContact CG2-CG2 4.12Å; I168-A204 HydrophobicContact CG2-CB 4.42Å |
| 169 | M | 82.3 | Confident | 87 | Confident | 17 Ų | 17 | 62.3 Ų | 62.3 | 8% | 0.084 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -1.2 | 172.9 | -62.7 | 175.7 | 62.2 | 0 | 0 | 112.7 | Q165 A166 E167 K171 A201 A204 L205 I208 | Q165-M169 WeakPolarHBondContact O-CG 3.36Å; Q165-M169 PolarHBondContact O-N 2.87Å; A166-M169 CarbonylContact O-C 3.48Å; A166-M169 WeakPolarHBondContact O-CA 3.18Å; A166-M169 WeakPolarHBondContact O-CB 3.34Å; A166-M169 PolarHBondContact O-N 2.85Å; E167-M169 PolarHBondContact O-N 3.37Å; M169-K171 VanDerWaalsContact C-N 3.28Å; M169-A201 HydrophobicContact CG-CB 4.35Å; M169-A204 HydrophobicContact CG-CB 3.62Å; M169-A204 HydrophobicContact SD-CB 3.93Å; M169-L205 HydrophobicContact CE-CB 4.26Å; M169-L205 HydrophobicContact SD-CB 4.24Å; M169-I208 HydrophobicContact SD-CD1 3.77Å |
| 170 | G | 82.5 | Confident | 86.8 | Confident | 71 Ų | 71 | 67.2 Ų | 67.2 | 73% | 0.732 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.9 | 17.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | A166 E167 I168 | A166-G170 PolarHBondContact O-N 3.44Å; E167-G170 WeakPolarHBondContact O-CA 3.33Å; E167-G170 PolarHBondContact O-N 3.05Å; I168-G170 PolarHBondContact O-N 2.97Å |
| 171 | K | 82.5 | Confident | 86.6 | Confident | 39 Ų | 39 | 64.3 Ų | 64.3 | 17% | 0.17 | 31% | 0.314 | C | S | . | . | trans | -101.2 | 118.5 | 175.5 | -65.2 | -174.6 | 176.8 | -175.9 | 0 | 109.1 | A166 E167 M169 V173 I189 F190 D192 | A166-K171 CarbonylContact C-O 3.18Å; A166-K171 PolarHBondContact O-N 3.35Å; E167-K171 PolarHBondContact N-O 3.22Å; M169-K171 VanDerWaalsContact C-N 3.28Å; K171-V173 HydrophobicContact CB-CG2 4.33Å; K171-V173 PolarHBondContact O-N 3.31Å; K171-I189 PolarHBondContact NZ-O 3.39Å; K171-F190 HydrophobicContact CD-CD1 4.42Å; K171-F190 PolarHBondContact NZ-O 2.85Å; K171-D192 PolarHBondContact NZ-O 2.96Å | ||
| 172 | E | 83.4 | Confident | 86.4 | Confident | 190 Ų | 190 | 61.6 Ų | 61.6 | 89% | 0.888 | 30% | 0.304 | S | S | * | . | trans | -76.3 | 120.3 | 166.3 | -73.8 | -173.1 | 166.2 | 0 | 0 | 108.8 | ||||
| 173 | V | 84.3 | Confident | 86.3 | Confident | 11 Ų | 11 | 69.4 Ų | 69.4 | 7% | 0.067 | 34% | 0.341 | C | S | . | . | trans | -125.6 | 123.9 | 178.1 | -178.9 | 0 | 0 | 0 | 0 | 108.8 | A166 K171 Q177 I178 F190 | A166-V173 HydrophobicContact CB-CB 4.13Å; A166-V173 HydrophobicContact CB-CG2 3.73Å; K171-V173 HydrophobicContact CB-CG2 4.33Å; K171-V173 PolarHBondContact O-N 3.31Å; V173-Q177 HydrophobicContact CG1-CB 3.85Å; V173-I178 HydrophobicContact CG1-CD1 4.33Å; V173-I178 HydrophobicContact CG1-CG1 3.71Å; V173-F190 HydrophobicContact CG1-CZ 4.2Å; V173-F190 HydrophobicContact CG2-CE1 3.69Å; V173-F190 HydrophobicContact CG2-CZ 3.93Å | ||
| 174 | S | 88.6 | Confident | 85.9 | Confident | 45 Ų | 45 | 70.5 Ų | 70.5 | 32% | 0.315 | 35% | 0.351 | S | S | . | . | trans | -78.6 | 162.9 | 178.6 | 91.1 | 0 | 0 | 0 | 0 | 111.4 | E176 Q177 I178 | S174-E176 VanDerWaalsContact C-N 3.26Å; S174-E176 WeakPolarHBondContact CB-OE2 3.35Å; S174-E176 PolarHBondContact O-N 2.91Å; S174-E176 PolarHBondContact OG-N 3.37Å; S174-E176 PolarHBondContact OG-OE2 2.92Å; S174-Q177 PolarHBondContact O-N 3.05Å; S174-Q177 PolarHBondContact OG-N 2.86Å; S174-I178 WeakPolarHBondContact O-CG1 3.34Å; S174-I178 PolarHBondContact O-N 2.9Å | ||
| 175 | R | 87.3 | Confident | 85.5 | Confident | 95 Ų | 95 | 64 Ų | 64 | 36% | 0.358 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -63 | -37 | 177.1 | -76.4 | -179.8 | 169.9 | -100.9 | -3.4 | 111.9 | E156 N160 Q177 I178 D179 | E156-R175 IonicContact OE1-CZ 3.16Å; E156-R175 IonicContact OE1-NH1 2.75Å; E156-R175 PolarHBondContact OE1-NH1 2.98Å; E156-R175 IonicContact OE1-NH2 2.72Å; E156-R175 PolarHBondContact OE1-NH2 2.86Å; E156-R175 IonicContact OE2-NH1 2.7Å; E156-R175 PolarHBondContact OE2-NH1 2.79Å; N160-R175 PolarHBondContact OD1-NH2 3.11Å; R175-Q177 VanDerWaalsContact C-N 3.31Å; R175-Q177 PolarHBondContact O-N 3.3Å; R175-I178 PolarHBondContact O-N 2.96Å; R175-I178 VanDerWaalsContact O-N 3.17Å; R175-D179 PolarHBondContact O-N 3.33Å |
| 176 | E | 87.9 | Confident | 85.1 | Confident | 132 Ų | 132 | 68.8 Ų | 68.8 | 62% | 0.617 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -62.6 | -39.6 | 177.9 | -57.4 | 73.1 | -156.1 | 0 | 0 | 110.9 | S174 D179 E180 | S174-E176 VanDerWaalsContact C-N 3.26Å; S174-E176 WeakPolarHBondContact CB-OE2 3.35Å; S174-E176 PolarHBondContact O-N 2.91Å; S174-E176 PolarHBondContact OG-N 3.37Å; S174-E176 PolarHBondContact OG-OE2 2.92Å; E176-D179 PolarHBondContact O-N 3.28Å; E176-E180 PolarHBondContact O-N 3.44Å |
| 177 | Q | 86.8 | Confident | 84.5 | Confident | 74 Ų | 74 | 69.7 Ų | 69.7 | 35% | 0.346 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -67.8 | -35 | 175.5 | -68.7 | 176.2 | -40.8 | 0 | 0 | 112.5 | V173 S174 R175 M181 I189 | V173-Q177 HydrophobicContact CG1-CB 3.85Å; S174-Q177 PolarHBondContact O-N 3.05Å; S174-Q177 PolarHBondContact OG-N 2.86Å; R175-Q177 VanDerWaalsContact C-N 3.31Å; R175-Q177 PolarHBondContact O-N 3.3Å; Q177-M181 WeakPolarHBondContact O-CB 3.46Å; Q177-M181 PolarHBondContact O-N 2.93Å; Q177-I189 HydrophobicContact CB-CD1 4.45Å |
| 178 | I | 86.9 | Confident | 83.8 | Confident | 1 Ų | 1 | 69.6 Ų | 69.6 | 1% | 0.005 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -67.8 | -40.2 | 173.3 | -61.6 | 173.7 | 0 | 0 | 0 | 110.1 | K159 I162 Q163 V173 S174 R175 M181 I182 | K159-I178 HydrophobicContact CB-CG2 4.34Å; K159-I178 HydrophobicContact CG-CG2 3.94Å; I162-I178 HydrophobicContact CB-CD1 4.44Å; I162-I178 HydrophobicContact CG2-CD1 4.09Å; I162-I178 HydrophobicContact CG2-CG1 4.18Å; I162-I178 HydrophobicContact CG2-CG2 4.49Å; Q163-I178 HydrophobicContact CB-CD1 3.82Å; V173-I178 HydrophobicContact CG1-CD1 4.33Å; V173-I178 HydrophobicContact CG1-CG1 3.71Å; S174-I178 WeakPolarHBondContact O-CG1 3.34Å; S174-I178 PolarHBondContact O-N 2.9Å; R175-I178 PolarHBondContact O-N 2.96Å; R175-I178 VanDerWaalsContact O-N 3.17Å; I178-M181 HydrophobicContact CG2-CE 4.14Å; I178-M181 WeakPolarHBondContact O-CB 3.22Å; I178-M181 PolarHBondContact O-N 3.43Å; I178-I182 HydrophobicContact CG2-CD1 4.33Å; I178-I182 VanDerWaalsContact O-CG1 3.29Å; I178-I182 WeakPolarHBondContact O-CG1 3.36Å; I178-I182 PolarHBondContact O-N 2.97Å; I178-I182 VanDerWaalsContact O-N 3.08Å |
| 179 | D | 88.3 | Confident | 83.1 | Confident | 42 Ų | 42 | 68.3 Ų | 68.3 | 23% | 0.225 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -63.3 | -45.5 | 174.5 | -83.4 | -54.8 | 0 | 0 | 0 | 112 | R155 K159 R175 E176 M181 I182 E183 | R155-D179 IonicContact CZ-OD1 2.76Å; R155-D179 IonicContact NH1-OD1 2.78Å; R155-D179 IonicContact NH2-OD1 2.87Å; R155-D179 PolarHBondContact NH2-OD1 3.12Å; K159-D179 WeakPolarHBondContact CE-OD1 3.36Å; K159-D179 IonicContact NZ-OD1 2.76Å; K159-D179 PolarHBondContact NZ-OD1 3.2Å; K159-D179 IonicContact NZ-OD2 3.45Å; K159-D179 PolarHBondContact NZ-OD2 3.24Å; R175-D179 PolarHBondContact O-N 3.33Å; E176-D179 PolarHBondContact O-N 3.28Å; D179-M181 VanDerWaalsContact C-N 3.28Å; D179-M181 PolarHBondContact O-N 3.41Å; D179-I182 WeakPolarHBondContact O-CA 3.41Å; D179-I182 WeakPolarHBondContact O-CB 3.49Å; D179-I182 PolarHBondContact O-N 2.93Å; D179-E183 WeakPolarHBondContact O-CG 3.4Å; D179-E183 PolarHBondContact O-N 2.96Å |
| 180 | E | 87.2 | Confident | 82.5 | Confident | 111 Ų | 111 | 67.6 Ų | 67.6 | 52% | 0.519 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -59.2 | -39.3 | 174.1 | -174.2 | -176.8 | -176.4 | 0 | 0 | 111.7 | E176 I182 E183 T184 | E176-E180 PolarHBondContact O-N 3.44Å; E180-I182 VanDerWaalsContact C-N 3.31Å; E180-I182 PolarHBondContact O-N 2.87Å; E180-E183 PolarHBondContact O-N 2.7Å; E180-T184 HydrophobicContact CG-CG2 4.13Å; E180-T184 WeakPolarHBondContact O-CB 3.32Å; E180-T184 VanDerWaalsContact O-CG2 3.26Å; E180-T184 WeakPolarHBondContact O-CG2 3.25Å; E180-T184 PolarHBondContact O-N 3.12Å; E180-T184 PolarHBondContact O-OG1 3.06Å |
| 181 | M | 85.7 | Confident | 81.8 | Confident | 1 Ų | 1 | 67.6 Ų | 67.6 | 1% | 0.005 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -61.2 | -40.1 | 174.1 | 176.2 | -178.6 | 64.1 | 0 | 0 | 111.9 | I162 Q177 I178 D179 T184 G185 K186 C187 F190 H212 | I162-M181 HydrophobicContact CD1-CE 3.86Å; I162-M181 HydrophobicContact CG2-CE 4.02Å; Q177-M181 WeakPolarHBondContact O-CB 3.46Å; Q177-M181 PolarHBondContact O-N 2.93Å; I178-M181 HydrophobicContact CG2-CE 4.14Å; I178-M181 WeakPolarHBondContact O-CB 3.22Å; I178-M181 PolarHBondContact O-N 3.43Å; D179-M181 VanDerWaalsContact C-N 3.28Å; D179-M181 PolarHBondContact O-N 3.41Å; M181-T184 PolarHBondContact O-OG1 3.36Å; M181-G185 VanDerWaalsContact O-CA 3.31Å; M181-G185 WeakPolarHBondContact O-CA 3.5Å; M181-G185 PolarHBondContact O-N 3.2Å; M181-K186 WeakPolarHBondContact CG-O 3.37Å; M181-K186 PolarHBondContact O-N 3.12Å; M181-C187 HydrophobicContact SD-CB 4.08Å; M181-F190 HydrophobicContact CE-CE2 4.29Å; M181-F190 HydrophobicContact SD-CD2 4.19Å; M181-F190 HydrophobicContact SD-CE2 3.68Å; M181-H212 PolarHBondContact O-NE2 3.2Å |
| 182 | I | 85.4 | Confident | 80.9 | Confident | 13 Ų | 13 | 71.1 Ų | 71.1 | 7% | 0.067 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -66.6 | -45.6 | 176.9 | -64.2 | 163.1 | 0 | 0 | 0 | 110.3 | K159 I178 D179 E180 G185 L215 E219 | K159-I182 HydrophobicContact CG-CD1 4.41Å; I178-I182 HydrophobicContact CG2-CD1 4.33Å; I178-I182 VanDerWaalsContact O-CG1 3.29Å; I178-I182 WeakPolarHBondContact O-CG1 3.36Å; I178-I182 PolarHBondContact O-N 2.97Å; I178-I182 VanDerWaalsContact O-N 3.08Å; D179-I182 WeakPolarHBondContact O-CA 3.41Å; D179-I182 WeakPolarHBondContact O-CB 3.49Å; D179-I182 PolarHBondContact O-N 2.93Å; E180-I182 VanDerWaalsContact C-N 3.31Å; E180-I182 PolarHBondContact O-N 2.87Å; I182-G185 PolarHBondContact O-N 2.71Å; I182-L215 HydrophobicContact CD1-CD1 3.88Å; I182-L215 HydrophobicContact CD1-CD2 4.16Å; I182-L215 HydrophobicContact CD1-CG 4.46Å; I182-L215 HydrophobicContact CG1-CB 4.36Å; I182-L215 HydrophobicContact CG1-CD1 3.97Å; I182-E219 HydrophobicContact CG2-CG 3.61Å |
| 183 | E | 85.3 | Confident | 79.6 | Confident | 164 Ų | 164 | 67.3 Ų | 67.3 | 77% | 0.766 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -64.8 | -43.6 | -179.1 | -71.6 | 179.2 | -179.6 | 0 | 0 | 112.5 | D179 E180 G185 | D179-E183 WeakPolarHBondContact O-CG 3.4Å; D179-E183 PolarHBondContact O-N 2.96Å; E180-E183 PolarHBondContact O-N 2.7Å; E183-G185 VanDerWaalsContact C-N 3.35Å |
| 184 | T | 83.8 | Confident | 78.4 | Confident | 73 Ų | 73 | 69.4 Ų | 69.4 | 45% | 0.448 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -79.8 | -19.7 | 179.7 | 60.7 | 0 | 0 | 0 | 0 | 112.8 | E180 M181 K186 | E180-T184 HydrophobicContact CG-CG2 4.13Å; E180-T184 WeakPolarHBondContact O-CB 3.32Å; E180-T184 VanDerWaalsContact O-CG2 3.26Å; E180-T184 WeakPolarHBondContact O-CG2 3.25Å; E180-T184 PolarHBondContact O-N 3.12Å; E180-T184 PolarHBondContact O-OG1 3.06Å; M181-T184 PolarHBondContact O-OG1 3.36Å; T184-K186 PolarHBondContact O-N 2.96Å; T184-K186 PolarHBondContact OG1-N 3.3Å |
| 185 | G | 79.3 | Confident | 76.8 | Confident | 34 Ų | 34 | 75.7 Ų | 75.7 | 35% | 0.351 | 39% | 0.388 | S | S | . | . | trans | 64.1 | 14.3 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | M181 I182 E183 H212 | M181-G185 VanDerWaalsContact O-CA 3.31Å; M181-G185 WeakPolarHBondContact O-CA 3.5Å; M181-G185 PolarHBondContact O-N 3.2Å; I182-G185 PolarHBondContact O-N 2.71Å; E183-G185 VanDerWaalsContact C-N 3.35Å; G185-H212 PolarHBondContact O-CE1 3Å | ||
| 186 | K | 78.8 | Confident | 75.4 | Confident | 132 Ų | 132 | 79.6 Ų | 79.6 | 57% | 0.574 | 41% | 0.41 | S | S | * | . | trans | -112.3 | 116.5 | -174.3 | -69.7 | 177.8 | -174.2 | 174.1 | 0 | 111.1 | M181 T184 N188 | M181-K186 WeakPolarHBondContact CG-O 3.37Å; M181-K186 PolarHBondContact O-N 3.12Å; T184-K186 PolarHBondContact O-N 2.96Å; T184-K186 PolarHBondContact OG1-N 3.3Å; K186-N188 PolarHBondContact O-N 3.46Å | ||
| 187 | C | 74.9 | Confident | 74.1 | Confident | 18 Ų | 18 | 75.4 Ų | 75.4 | 12% | 0.122 | 39% | 0.391 | C | S | . | . | trans | -87.4 | 26.6 | 179.8 | -166.9 | 0 | 0 | 0 | 0 | 113.5 | M181 I189 F190 | M181-C187 HydrophobicContact SD-CB 4.08Å; C187-I189 PolarHBondContact O-N 3.45Å; C187-F190 PolarHBondContact O-N 2.93Å; C187-F190 VanDerWaalsContact SG-CD2 3.59Å | ||
| 188 | N | 72.7 | Confident | 73.6 | Confident | 108 Ų | 108 | 74.3 Ų | 74.3 | 58% | 0.578 | 40% | 0.399 | S | S | * | . | G | 310 helix | trans | -68.2 | -23.2 | -168.4 | -67.7 | -11.5 | 0 | 0 | 0 | 113.6 | K186 F190 V191 | K186-N188 PolarHBondContact O-N 3.46Å; N188-F190 PolarHBondContact O-N 3.04Å; N188-V191 PolarHBondContact O-N 3.41Å |
| 189 | I | 71.4 | Confident | 73.4 | Confident | 63 Ų | 63 | 85.2 Ų | 85.2 | 32% | 0.323 | 44% | 0.441 | S | S | . | . | G | 310 helix | trans | -55.9 | -25.5 | -179.6 | -54.7 | 171.6 | 0 | 0 | 0 | 111.8 | K171 Q177 C187 | K171-I189 PolarHBondContact NZ-O 3.39Å; Q177-I189 HydrophobicContact CB-CD1 4.45Å; C187-I189 PolarHBondContact O-N 3.45Å |
| 190 | F | 70.3 | Confident | 73 | Confident | 2 Ų | 2 | 88.1 Ų | 88.1 | 1% | 0.009 | 46% | 0.46 | C | S | . | . | G | 310 helix | trans | -99.4 | -15.1 | -174.2 | -59.8 | -75.2 | 0 | 0 | 0 | 114.9 | I162 A166 K171 V173 M181 C187 N188 L205 I208 | I162-F190 HydrophobicContact CG2-CE2 4.31Å; I162-F190 HydrophobicContact CG2-CZ 3.96Å; A166-F190 HydrophobicContact CB-CD1 4.46Å; A166-F190 HydrophobicContact CB-CE1 3.55Å; A166-F190 HydrophobicContact CB-CZ 4.3Å; K171-F190 HydrophobicContact CD-CD1 4.42Å; K171-F190 PolarHBondContact NZ-O 2.85Å; V173-F190 HydrophobicContact CG1-CZ 4.2Å; V173-F190 HydrophobicContact CG2-CE1 3.69Å; V173-F190 HydrophobicContact CG2-CZ 3.93Å; M181-F190 HydrophobicContact CE-CE2 4.29Å; M181-F190 HydrophobicContact SD-CD2 4.19Å; M181-F190 HydrophobicContact SD-CE2 3.68Å; C187-F190 PolarHBondContact O-N 2.93Å; C187-F190 VanDerWaalsContact SG-CD2 3.59Å; N188-F190 PolarHBondContact O-N 3.04Å; F190-L205 HydrophobicContact CB-CD1 3.4Å; F190-I208 HydrophobicContact CD1-CD1 3.72Å; F190-I208 HydrophobicContact CD2-CG2 3.73Å; F190-I208 HydrophobicContact CE1-CD1 3.93Å; F190-I208 HydrophobicContact CE2-CG2 3.86Å; F190-I208 HydrophobicContact CG-CD1 4.17Å; F190-I208 HydrophobicContact CG-CG2 4.05Å; F190-I208 HydrophobicContact CZ-CG2 4.31Å |
| 191 | V | 68.2 | Low | 72.7 | Confident | 72 Ų | 72 | 83.4 Ų | 83.4 | 44% | 0.436 | 44% | 0.44 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -23.8 | -170 | -176.4 | 0 | 0 | 0 | 0 | 112.7 | N188 N193 | N188-V191 PolarHBondContact O-N 3.41Å; V191-N193 PolarHBondContact O-N 2.93Å |
| 192 | D | 62.8 | Low | 72.6 | Confident | 113 Ų | 113 | 90.3 Ų | 90.3 | 60% | 0.604 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | 124.4 | 178 | -67.2 | -24.9 | 0 | 0 | 0 | 110.5 | K171 | K171-D192 PolarHBondContact NZ-O 2.96Š|
| 193 | N | 55.7 | Low | 72.5 | Confident | 109 Ų | 109 | 93.3 Ų | 93.3 | 58% | 0.583 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.7 | 13.4 | 176.5 | -54.2 | -38 | 0 | 0 | 0 | 119.4 | V191 L195 Q196 | V191-N193 PolarHBondContact O-N 2.93Å; N193-L195 PolarHBondContact O-N 2.84Å; N193-Q196 PolarHBondContact O-N 2.94Å; N193-Q196 VanDerWaalsContact O-N 3.09Å |
| 194 | L | 58.4 | Low | 72.5 | Confident | 56 Ų | 56 | 85.6 Ų | 85.6 | 29% | 0.293 | 45% | 0.452 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -22.4 | -179.7 | -155.4 | 70.2 | 0 | 0 | 0 | 115.7 | Q196 R202 L205 | L194-Q196 VanDerWaalsContact C-N 3.29Å; L194-Q196 PolarHBondContact O-N 3.23Å; L194-R202 HydrophobicContact CD1-CG 4.28Å; L194-R202 HydrophobicContact CG-CG 4.48Å; L194-L205 HydrophobicContact CD1-CB 4.4Å; L194-L205 HydrophobicContact CD1-CD2 3.44Å; L194-L205 VanDerWaalsContact CD1-CD2 3.44Å; L194-L205 HydrophobicContact CD2-CD2 3.89Å; L194-L205 HydrophobicContact CG-CD2 4.28Å |
| 195 | L | 55 | Low | 72.5 | Confident | 176 Ų | 176 | 82.6 Ų | 82.6 | 92% | 0.921 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -22 | 179.9 | -77 | 165 | 0 | 0 | 0 | 113.2 | N193 | N193-L195 PolarHBondContact O-N 2.84Š|
| 196 | Q | 58.2 | Low | 72.8 | Confident | 177 Ų | 177 | 85.1 Ų | 85.1 | 83% | 0.827 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100 | -12.9 | -176.1 | -131.9 | 168.7 | 3 | 0 | 0 | 113.2 | N193 L194 | N193-Q196 PolarHBondContact O-N 2.94Å; N193-Q196 VanDerWaalsContact O-N 3.09Å; L194-Q196 VanDerWaalsContact C-N 3.29Å; L194-Q196 PolarHBondContact O-N 3.23Å |
| 197 | E | 62.1 | Low | 73.1 | Confident | 44 Ų | 44 | 81.1 Ų | 81.1 | 21% | 0.206 | 42% | 0.422 | C | S | . | . | trans | -100 | 139.1 | -169.2 | -59.1 | 177.1 | 171.4 | 0 | 0 | 113 | A201 | E197-A201 HydrophobicContact CB-CB 3.44Å; E197-A201 VanDerWaalsContact CB-CB 3.44Å; E197-A201 HydrophobicContact CG-CB 4.25Å; E197-A201 VanDerWaalsContact OE2-CB 3.26Å; E197-A201 WeakPolarHBondContact OE2-CB 3.28Å | ||
| 198 | G | 75.8 | Confident | 73.6 | Confident | 51 Ų | 51 | 80.3 Ų | 80.3 | 53% | 0.526 | 42% | 0.416 | S | S | . | . | trans | -68.6 | -176.8 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | T200 A201 R202 | G198-T200 PolarHBondContact O-N 3.45Å; G198-T200 VanDerWaalsContact O-N 3.09Å; G198-A201 PolarHBondContact O-N 3.23Å; G198-A201 VanDerWaalsContact O-N 3.15Å; G198-R202 PolarHBondContact O-N 3.36Å | ||
| 199 | R | 81.4 | Confident | 74.2 | Confident | 231 Ų | 231 | 78.6 Ų | 78.6 | 87% | 0.872 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -54 | -32.8 | -177.7 | -169.2 | 177.3 | -179 | 175.7 | 1.1 | 113.6 | S203 | R199-S203 PolarHBondContact O-N 3.2Å |
| 200 | T | 81.1 | Confident | 74.9 | Confident | 102 Ų | 102 | 78.5 Ų | 78.5 | 63% | 0.626 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -65.8 | -46.2 | 179.6 | -48.8 | 0 | 0 | 0 | 0 | 112.3 | I168 G198 R202 S203 A204 | I168-T200 HydrophobicContact CG2-CG2 4.12Å; G198-T200 PolarHBondContact O-N 3.45Å; G198-T200 VanDerWaalsContact O-N 3.09Å; T200-R202 PolarHBondContact O-N 3.31Å; T200-S203 WeakPolarHBondContact O-CB 3.23Å; T200-S203 PolarHBondContact O-N 3.47Å; T200-S203 VanDerWaalsContact O-N 3.14Å; T200-A204 PolarHBondContact O-N 2.91Å |
| 201 | A | 81.1 | Confident | 75.7 | Confident | 12 Ų | 12 | 78.9 Ų | 78.9 | 10% | 0.099 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -67.6 | -38 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | M169 E197 G198 S203 A204 L205 | M169-A201 HydrophobicContact CG-CB 4.35Å; E197-A201 HydrophobicContact CB-CB 3.44Å; E197-A201 VanDerWaalsContact CB-CB 3.44Å; E197-A201 HydrophobicContact CG-CB 4.25Å; E197-A201 VanDerWaalsContact OE2-CB 3.26Å; E197-A201 WeakPolarHBondContact OE2-CB 3.28Å; G198-A201 PolarHBondContact O-N 3.23Å; G198-A201 VanDerWaalsContact O-N 3.15Å; A201-S203 VanDerWaalsContact C-N 3.27Å; A201-S203 PolarHBondContact O-N 2.98Å; A201-A204 PolarHBondContact O-N 3.37Å; A201-L205 PolarHBondContact O-N 2.89Å |
| 202 | R | 82.3 | Confident | 76.5 | Confident | 147 Ų | 147 | 76 Ų | 76 | 56% | 0.555 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -60.4 | -37.4 | 172 | -67.1 | -175.3 | -174.4 | 172.6 | 1.6 | 112.5 | L194 G198 T200 N206 | L194-R202 HydrophobicContact CD1-CG 4.28Å; L194-R202 HydrophobicContact CG-CG 4.48Å; G198-R202 PolarHBondContact O-N 3.36Å; T200-R202 PolarHBondContact O-N 3.31Å; R202-N206 PolarHBondContact O-N 3.2Å; R202-N206 VanDerWaalsContact O-N 3.14Å |
| 203 | S | 84.5 | Confident | 77.6 | Confident | 75 Ų | 75 | 75.7 Ų | 75.7 | 52% | 0.524 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -68 | -42.1 | 176.1 | -168.5 | 0 | 0 | 0 | 0 | 111.5 | R199 T200 A201 N206 E207 | R199-S203 PolarHBondContact O-N 3.2Å; T200-S203 WeakPolarHBondContact O-CB 3.23Å; T200-S203 PolarHBondContact O-N 3.47Å; T200-S203 VanDerWaalsContact O-N 3.14Å; A201-S203 VanDerWaalsContact C-N 3.27Å; A201-S203 PolarHBondContact O-N 2.98Å; S203-N206 PolarHBondContact O-N 2.92Å; S203-E207 PolarHBondContact O-N 2.96Å |
| 204 | A | 84.3 | Confident | 79 | Confident | 2 Ų | 2 | 70.9 Ų | 70.9 | 2% | 0.017 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -63.1 | -44.9 | 177 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q165 I168 M169 T200 A201 N206 E207 I208 | Q165-A204 HydrophobicContact CB-CB 4.38Å; I168-A204 HydrophobicContact CG2-CB 4.42Å; M169-A204 HydrophobicContact CG-CB 3.62Å; M169-A204 HydrophobicContact SD-CB 3.93Å; T200-A204 PolarHBondContact O-N 2.91Å; A201-A204 PolarHBondContact O-N 3.37Å; A204-N206 PolarHBondContact O-N 2.85Å; A204-E207 PolarHBondContact O-N 2.81Å; A204-E207 VanDerWaalsContact O-N 3.1Å; A204-I208 WeakPolarHBondContact O-CG1 3.35Å; A204-I208 PolarHBondContact O-N 3.07Å |
| 205 | L | 84.2 | Confident | 80.4 | Confident | 10 Ų | 10 | 68.2 Ų | 68.2 | 5% | 0.052 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -59 | -46.7 | 175.8 | -177.9 | 66.9 | 0 | 0 | 0 | 112 | M169 F190 L194 A201 E207 I208 E209 | M169-L205 HydrophobicContact CE-CB 4.26Å; M169-L205 HydrophobicContact SD-CB 4.24Å; F190-L205 HydrophobicContact CB-CD1 3.4Å; L194-L205 HydrophobicContact CD1-CB 4.4Å; L194-L205 HydrophobicContact CD1-CD2 3.44Å; L194-L205 VanDerWaalsContact CD1-CD2 3.44Å; L194-L205 HydrophobicContact CD2-CD2 3.89Å; L194-L205 HydrophobicContact CG-CD2 4.28Å; A201-L205 PolarHBondContact O-N 2.89Å; L205-E207 VanDerWaalsContact C-N 3.26Å; L205-E207 PolarHBondContact O-N 2.69Å; L205-I208 WeakPolarHBondContact O-CB 3.29Å; L205-I208 PolarHBondContact O-N 2.92Å; L205-I208 VanDerWaalsContact O-N 3.16Å; L205-E209 PolarHBondContact O-N 3.2Å |
| 206 | N | 84.9 | Confident | 82 | Confident | 88 Ų | 88 | 63.1 Ų | 63.1 | 47% | 0.471 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -61.8 | -35.6 | 176.7 | -179.5 | 40 | 0 | 0 | 0 | 111.8 | R202 S203 A204 N210 | R202-N206 PolarHBondContact O-N 3.2Å; R202-N206 VanDerWaalsContact O-N 3.14Å; S203-N206 PolarHBondContact O-N 2.92Å; A204-N206 PolarHBondContact O-N 2.85Å; N206-N210 WeakPolarHBondContact O-CB 3.29Å; N206-N210 VanDerWaalsContact O-CG 3.29Å; N206-N210 PolarHBondContact O-N 3.48Å; N206-N210 VanDerWaalsContact O-N 3.14Å; N206-N210 PolarHBondContact O-ND2 2.92Å; N206-N210 PolarHBondContact OD1-ND2 3.28Å; N206-N210 VanDerWaalsContact OD1-ND2 3.14Å |
| 207 | E | 84.9 | Confident | 83.4 | Confident | 48 Ų | 48 | 57.7 Ų | 57.7 | 22% | 0.224 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -67.1 | -42.9 | 173.7 | -170.5 | 168.9 | 169.1 | 0 | 0 | 111.9 | R161 Q165 S203 A204 L205 N210 R211 | R161-E207 IonicContact NH1-OE1 3.78Å; R161-E207 PolarHBondContact NH1-OE1 3.47Å; Q165-E207 HydrophobicContact CG-CB 4.2Å; Q165-E207 HydrophobicContact CG-CG 4.12Å; Q165-E207 VanDerWaalsContact NE2-CD 3.31Å; Q165-E207 PolarHBondContact NE2-OE2 2.89Å; S203-E207 PolarHBondContact O-N 2.96Å; A204-E207 PolarHBondContact O-N 2.81Å; A204-E207 VanDerWaalsContact O-N 3.1Å; L205-E207 VanDerWaalsContact C-N 3.26Å; L205-E207 PolarHBondContact O-N 2.69Å; E207-N210 PolarHBondContact O-N 3.34Å; E207-R211 HydrophobicContact CG-CG 4.48Å; E207-R211 WeakPolarHBondContact O-CG 3.42Å; E207-R211 PolarHBondContact O-N 3.14Å; E207-R211 IonicContact OE1-NH1 2.79Å |
| 208 | I | 86.4 | Confident | 84.7 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -57.8 | -50.2 | 175.4 | -69.4 | 164.2 | 0 | 0 | 0 | 110.6 | I162 Q165 M169 F190 A204 L205 N210 R211 H212 | I162-I208 HydrophobicContact CG2-CG2 4.18Å; Q165-I208 HydrophobicContact CB-CD1 3.82Å; Q165-I208 HydrophobicContact CB-CG1 3.52Å; Q165-I208 HydrophobicContact CG-CG1 4.46Å; M169-I208 HydrophobicContact SD-CD1 3.77Å; F190-I208 HydrophobicContact CD1-CD1 3.72Å; F190-I208 HydrophobicContact CD2-CG2 3.73Å; F190-I208 HydrophobicContact CE1-CD1 3.93Å; F190-I208 HydrophobicContact CE2-CG2 3.86Å; F190-I208 HydrophobicContact CG-CD1 4.17Å; F190-I208 HydrophobicContact CG-CG2 4.05Å; F190-I208 HydrophobicContact CZ-CG2 4.31Å; A204-I208 WeakPolarHBondContact O-CG1 3.35Å; A204-I208 PolarHBondContact O-N 3.07Å; L205-I208 WeakPolarHBondContact O-CB 3.29Å; L205-I208 PolarHBondContact O-N 2.92Å; L205-I208 VanDerWaalsContact O-N 3.16Å; I208-N210 VanDerWaalsContact C-N 3.28Å; I208-N210 PolarHBondContact O-N 3.44Å; I208-R211 PolarHBondContact O-N 2.99Å; I208-H212 WeakPolarHBondContact O-CB 3.48Å; I208-H212 PolarHBondContact O-N 3.33Å |
| 209 | E | 85.5 | Confident | 85.4 | Confident | 72 Ų | 72 | 55 Ų | 55 | 34% | 0.336 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -58.9 | -40 | 178.4 | -74.1 | -175.7 | -175.5 | 0 | 0 | 112.3 | L205 H212 K213 | L205-E209 PolarHBondContact O-N 3.2Å; E209-H212 PolarHBondContact O-N 3.05Å; E209-K213 WeakPolarHBondContact O-CG 3.29Å; E209-K213 PolarHBondContact O-N 3.4Å |
| 210 | N | 85.3 | Confident | 85.8 | Confident | 62 Ų | 62 | 47 Ų | 47 | 33% | 0.332 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -69.1 | -38.5 | 178.4 | -76.1 | -48.8 | 0 | 0 | 0 | 112.4 | N206 E207 I208 E214 | N206-N210 WeakPolarHBondContact O-CB 3.29Å; N206-N210 VanDerWaalsContact O-CG 3.29Å; N206-N210 PolarHBondContact O-N 3.48Å; N206-N210 VanDerWaalsContact O-N 3.14Å; N206-N210 PolarHBondContact O-ND2 2.92Å; N206-N210 PolarHBondContact OD1-ND2 3.28Å; N206-N210 VanDerWaalsContact OD1-ND2 3.14Å; E207-N210 PolarHBondContact O-N 3.34Å; I208-N210 VanDerWaalsContact C-N 3.28Å; I208-N210 PolarHBondContact O-N 3.44Å; N210-E214 PolarHBondContact O-N 3.49Å |
| 211 | R | 86.6 | Confident | 86.2 | Confident | 9 Ų | 9 | 43.3 Ų | 43.3 | 3% | 0.034 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -68.6 | -38.2 | 173.4 | -69.2 | -61.9 | 83.5 | 68 | 14.1 | 112 | R161 I162 E207 I208 E214 L215 | R161-R211 HydrophobicContact CB-CG 4.14Å; I162-R211 HydrophobicContact CD1-CB 3.8Å; I162-R211 HydrophobicContact CG1-CB 3.56Å; I162-R211 HydrophobicContact CG1-CG 4.3Å; E207-R211 HydrophobicContact CG-CG 4.48Å; E207-R211 WeakPolarHBondContact O-CG 3.42Å; E207-R211 PolarHBondContact O-N 3.14Å; E207-R211 IonicContact OE1-NH1 2.79Å; I208-R211 PolarHBondContact O-N 2.99Å; R211-E214 IonicContact CZ-OE2 3.52Å; R211-E214 IonicContact NE-OE2 2.87Å; R211-E214 PolarHBondContact NE-OE2 3.21Å; R211-E214 IonicContact NH2-OE2 4Å; R211-E214 WeakPolarHBondContact O-CB 3.4Å; R211-E214 PolarHBondContact O-N 3.09Å; R211-L215 PolarHBondContact O-N 3.46Å |
| 212 | H | 86.5 | Confident | 86.8 | Confident | 12 Ų | 12 | 43.5 Ų | 43.5 | 6% | 0.056 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.5 | -46.2 | 176 | 175.1 | -111.1 | 0 | 0 | 0 | 111.6 | M181 G185 I208 E209 E214 L215 L216 | M181-H212 PolarHBondContact O-NE2 3.2Å; G185-H212 PolarHBondContact O-CE1 3Å; I208-H212 WeakPolarHBondContact O-CB 3.48Å; I208-H212 PolarHBondContact O-N 3.33Å; E209-H212 PolarHBondContact O-N 3.05Å; H212-E214 VanDerWaalsContact C-N 3.25Å; H212-E214 PolarHBondContact O-N 3.33Å; H212-L215 WeakPolarHBondContact O-CB 3.37Å; H212-L215 PolarHBondContact O-N 2.82Å; H212-L215 VanDerWaalsContact O-N 3.15Å; H212-L216 PolarHBondContact O-N 3.07Å |
| 213 | K | 85.9 | Confident | 87.2 | Confident | 106 Ų | 106 | 43.2 Ų | 43.2 | 46% | 0.461 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -58.2 | -38.5 | 174 | -73 | 171.1 | -174.8 | 165.6 | 0 | 112.5 | E209 L216 E217 | E209-K213 WeakPolarHBondContact O-CG 3.29Å; E209-K213 PolarHBondContact O-N 3.4Å; K213-L216 PolarHBondContact O-N 3.08Å; K213-E217 WeakPolarHBondContact O-CG 3.48Å; K213-E217 PolarHBondContact O-N 3.14Å |
| 214 | E | 84.9 | Confident | 87.4 | Confident | 9 Ų | 9 | 41.8 Ų | 41.8 | 4% | 0.042 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -69 | -38.9 | 176.5 | -177.2 | -178 | -173.7 | 0 | 0 | 112.5 | F73 Q154 C158 N210 R211 H212 L216 E217 L218 | F73-E214 WeakPolarHBondContact CE1-OE2 3.28Å; Q154-E214 PolarHBondContact NE2-OE1 3.37Å; C158-E214 VanDerWaalsContact SG-CD 3.53Å; N210-E214 PolarHBondContact O-N 3.49Å; R211-E214 IonicContact CZ-OE2 3.52Å; R211-E214 IonicContact NE-OE2 2.87Å; R211-E214 PolarHBondContact NE-OE2 3.21Å; R211-E214 IonicContact NH2-OE2 4Å; R211-E214 WeakPolarHBondContact O-CB 3.4Å; R211-E214 PolarHBondContact O-N 3.09Å; H212-E214 VanDerWaalsContact C-N 3.25Å; H212-E214 PolarHBondContact O-N 3.33Å; E214-L216 VanDerWaalsContact C-N 3.33Å; E214-L216 PolarHBondContact O-N 3.27Å; E214-E217 PolarHBondContact O-N 2.97Å; E214-L218 VanDerWaalsContact O-CB 3.28Å; E214-L218 WeakPolarHBondContact O-CB 3.49Å; E214-L218 PolarHBondContact O-N 3.03Å |
| 215 | L | 88.1 | Confident | 87.8 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -59.1 | -43.8 | 172.2 | -81.3 | 166.4 | 0 | 0 | 0 | 111.4 | R155 C158 K159 I162 I182 R211 H212 E217 L218 E219 | R155-L215 HydrophobicContact CG-CD2 3.87Å; C158-L215 HydrophobicContact CB-CD1 4.09Å; C158-L215 HydrophobicContact CB-CD2 3.64Å; C158-L215 HydrophobicContact CB-CG 3.62Å; K159-L215 HydrophobicContact CG-CD2 4.49Å; I162-L215 HydrophobicContact CD1-CD1 3.4Å; I182-L215 HydrophobicContact CD1-CD1 3.88Å; I182-L215 HydrophobicContact CD1-CD2 4.16Å; I182-L215 HydrophobicContact CD1-CG 4.46Å; I182-L215 HydrophobicContact CG1-CB 4.36Å; I182-L215 HydrophobicContact CG1-CD1 3.97Å; R211-L215 PolarHBondContact O-N 3.46Å; H212-L215 WeakPolarHBondContact O-CB 3.37Å; H212-L215 PolarHBondContact O-N 2.82Å; H212-L215 VanDerWaalsContact O-N 3.15Å; L215-E217 PolarHBondContact O-N 3.48Å; L215-L218 HydrophobicContact CD2-CD2 4.39Å; L215-L218 WeakPolarHBondContact O-CB 3.43Å; L215-L218 PolarHBondContact O-N 3.02Å; L215-L218 VanDerWaalsContact O-N 3.15Å; L215-E219 WeakPolarHBondContact O-CG 3.38Å; L215-E219 PolarHBondContact O-N 3.44Å |
| 216 | L | 88.5 | Confident | 88.1 | Confident | 69 Ų | 69 | 47 Ų | 47 | 36% | 0.361 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -62.6 | -41.4 | 177.3 | -65.1 | 176.8 | 0 | 0 | 0 | 112.5 | H212 K213 E214 L218 E219 S220 | H212-L216 PolarHBondContact O-N 3.07Å; K213-L216 PolarHBondContact O-N 3.08Å; E214-L216 VanDerWaalsContact C-N 3.33Å; E214-L216 PolarHBondContact O-N 3.27Å; L216-L218 VanDerWaalsContact C-N 3.28Å; L216-L218 PolarHBondContact O-N 2.93Å; L216-E219 PolarHBondContact O-N 3.43Å; L216-S220 PolarHBondContact O-N 3.25Å |
| 217 | E | 87.4 | Confident | 88.4 | Confident | 63 Ų | 63 | 47.6 Ų | 47.6 | 29% | 0.294 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -63.5 | -37.6 | 174.5 | -71.4 | 168.7 | -165.3 | 0 | 0 | 111.6 | K84 N88 K213 E214 L215 S220 R221 | K84-E217 VanDerWaalsContact CE-OE1 3.27Å; K84-E217 WeakPolarHBondContact CE-OE1 3.49Å; K84-E217 WeakPolarHBondContact CE-OE2 3.46Å; K84-E217 IonicContact NZ-OE1 3.79Å; K84-E217 PolarHBondContact NZ-OE1 3.23Å; K84-E217 IonicContact NZ-OE2 3.06Å; K84-E217 PolarHBondContact NZ-OE2 2.95Å; N88-E217 PolarHBondContact ND2-OE2 2.59Å; N88-E217 PolarHBondContact OD1-OE2 2.87Å; K213-E217 WeakPolarHBondContact O-CG 3.48Å; K213-E217 PolarHBondContact O-N 3.14Å; E214-E217 PolarHBondContact O-N 2.97Å; L215-E217 PolarHBondContact O-N 3.48Å; E217-S220 WeakPolarHBondContact O-CB 3.05Å; E217-S220 PolarHBondContact O-N 3.14Å; E217-R221 PolarHBondContact O-N 2.86Å |
| 218 | L | 89.4 | Confident | 88.6 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -68.5 | -44.7 | 178.1 | 177.2 | 63.7 | 0 | 0 | 0 | 112.4 | E151 Q154 R155 E214 L215 L216 S220 R221 I222 | E151-L218 HydrophobicContact CB-CD1 3.68Å; E151-L218 VanDerWaalsContact CD-CD1 3.43Å; E151-L218 HydrophobicContact CG-CD1 4.05Å; E151-L218 WeakPolarHBondContact OE2-CD1 3.45Å; Q154-L218 HydrophobicContact CB-CD2 4.3Å; Q154-L218 HydrophobicContact CG-CD2 4.36Å; R155-L218 HydrophobicContact CB-CD2 3.42Å; R155-L218 VanDerWaalsContact CB-CD2 3.42Å; R155-L218 HydrophobicContact CB-CG 4.42Å; R155-L218 HydrophobicContact CG-CD2 4.02Å; E214-L218 VanDerWaalsContact O-CB 3.28Å; E214-L218 WeakPolarHBondContact O-CB 3.49Å; E214-L218 PolarHBondContact O-N 3.03Å; L215-L218 HydrophobicContact CD2-CD2 4.39Å; L215-L218 WeakPolarHBondContact O-CB 3.43Å; L215-L218 PolarHBondContact O-N 3.02Å; L215-L218 VanDerWaalsContact O-N 3.15Å; L216-L218 VanDerWaalsContact C-N 3.28Å; L216-L218 PolarHBondContact O-N 2.93Å; L218-S220 PolarHBondContact O-N 3.21Å; L218-R221 PolarHBondContact O-N 3.16Å; L218-I222 HydrophobicContact CD1-CD1 4.2Å; L218-I222 HydrophobicContact CD1-CG1 4.35Å; L218-I222 HydrophobicContact CG-CD1 3.89Å; L218-I222 HydrophobicContact CG-CG1 4.45Å; L218-I222 WeakPolarHBondContact O-CG1 3.45Å; L218-I222 PolarHBondContact O-N 3.37Å |
| 219 | E | 90 | Very high | 88.8 | Confident | 38 Ų | 38 | 47.7 Ų | 47.7 | 18% | 0.178 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -57.6 | -38.4 | 174.2 | -70.9 | -60.7 | 155 | 0 | 0 | 111.4 | R155 I182 L215 L216 R221 I222 K223 | R155-E219 IonicContact CZ-OE1 3.01Å; R155-E219 IonicContact NE-OE1 2.6Å; R155-E219 PolarHBondContact NE-OE1 2.95Å; R155-E219 IonicContact NH2-OE1 2.77Å; R155-E219 PolarHBondContact NH2-OE1 3.21Å; I182-E219 HydrophobicContact CG2-CG 3.61Å; L215-E219 WeakPolarHBondContact O-CG 3.38Å; L215-E219 PolarHBondContact O-N 3.44Å; L216-E219 PolarHBondContact O-N 3.43Å; E219-R221 VanDerWaalsContact C-N 3.35Å; E219-R221 PolarHBondContact O-N 3.28Å; E219-I222 PolarHBondContact O-N 3.48Å; E219-K223 VanDerWaalsContact O-CG 3.28Å; E219-K223 WeakPolarHBondContact O-CG 3.4Å; E219-K223 PolarHBondContact O-N 3.24Å |
| 220 | S | 90.1 | Very high | 89 | Confident | 64 Ų | 64 | 51 Ų | 51 | 45% | 0.448 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -61.9 | -42.1 | 173.2 | -171 | 0 | 0 | 0 | 0 | 112 | L216 E217 L218 K223 D224 | L216-S220 PolarHBondContact O-N 3.25Å; E217-S220 WeakPolarHBondContact O-CB 3.05Å; E217-S220 PolarHBondContact O-N 3.14Å; L218-S220 PolarHBondContact O-N 3.21Å; S220-K223 PolarHBondContact O-N 3.36Å; S220-D224 VanDerWaalsContact O-CG 3.28Å; S220-D224 PolarHBondContact O-N 3.02Å; S220-D224 VanDerWaalsContact O-N 3.11Å |
| 221 | R | 90.4 | Very high | 89.1 | Confident | 24 Ų | 24 | 50.1 Ų | 50.1 | 9% | 0.091 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -70.4 | -38.2 | 179 | -66.3 | -169.3 | -53.7 | -90.2 | 1.9 | 112 | N88 E151 E217 L218 E219 K223 D224 I225 | N88-R221 PolarHBondContact OD1-NH1 2.89Å; E151-R221 WeakPolarHBondContact OE1-CD 3.41Å; E151-R221 IonicContact OE1-CZ 2.81Å; E151-R221 IonicContact OE1-NE 3.34Å; E151-R221 PolarHBondContact OE1-NE 3.49Å; E151-R221 IonicContact OE1-NH2 2.69Å; E151-R221 PolarHBondContact OE1-NH2 3.31Å; E151-R221 IonicContact OE2-CZ 2.7Å; E151-R221 IonicContact OE2-NE 3.77Å; E151-R221 IonicContact OE2-NH2 3.51Å; E151-R221 PolarHBondContact OE2-NH2 3.39Å; E217-R221 PolarHBondContact O-N 2.86Å; L218-R221 PolarHBondContact O-N 3.16Å; E219-R221 VanDerWaalsContact C-N 3.35Å; E219-R221 PolarHBondContact O-N 3.28Å; R221-K223 VanDerWaalsContact C-N 3.3Å; R221-K223 PolarHBondContact O-N 3.26Å; R221-D224 WeakPolarHBondContact O-CB 3.38Å; R221-D224 PolarHBondContact O-N 3.18Å; R221-I225 VanDerWaalsContact O-CG1 3.3Å; R221-I225 WeakPolarHBondContact O-CG1 3.25Å; R221-I225 PolarHBondContact O-N 3.45Å |
| 222 | I | 91.8 | Very high | 89.1 | Confident | 15 Ų | 15 | 49.9 Ų | 49.9 | 8% | 0.077 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.8 | -40.6 | 174.4 | -68.1 | 167.6 | 0 | 0 | 0 | 110.5 | E151 M152 L218 E219 D224 I225 H226 | E151-I222 HydrophobicContact CB-CD1 4.5Å; E151-I222 HydrophobicContact CB-CG1 3.98Å; M152-I222 HydrophobicContact SD-CD1 3.85Å; L218-I222 HydrophobicContact CD1-CD1 4.2Å; L218-I222 HydrophobicContact CD1-CG1 4.35Å; L218-I222 HydrophobicContact CG-CD1 3.89Å; L218-I222 HydrophobicContact CG-CG1 4.45Å; L218-I222 WeakPolarHBondContact O-CG1 3.45Å; L218-I222 PolarHBondContact O-N 3.37Å; E219-I222 PolarHBondContact O-N 3.48Å; I222-D224 PolarHBondContact O-N 3.07Å; I222-I225 WeakPolarHBondContact O-CB 3.32Å; I222-I225 PolarHBondContact O-N 3.35Å; I222-H226 WeakPolarHBondContact O-CB 3.29Å; I222-H226 PolarHBondContact O-N 3.16Å |
| 223 | K | 91.8 | Very high | 89 | Confident | 141 Ų | 141 | 52 Ų | 52 | 61% | 0.613 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -60.6 | -43.5 | 173.3 | -73.6 | 173.4 | -175.8 | -179.4 | 0 | 112.3 | E219 S220 R221 I225 H226 E227 | E219-K223 VanDerWaalsContact O-CG 3.28Å; E219-K223 WeakPolarHBondContact O-CG 3.4Å; E219-K223 PolarHBondContact O-N 3.24Å; S220-K223 PolarHBondContact O-N 3.36Å; R221-K223 VanDerWaalsContact C-N 3.3Å; R221-K223 PolarHBondContact O-N 3.26Å; K223-I225 VanDerWaalsContact C-N 3.33Å; K223-I225 PolarHBondContact O-N 2.97Å; K223-H226 WeakPolarHBondContact O-CB 3.47Å; K223-H226 PolarHBondContact O-N 3.4Å; K223-E227 PolarHBondContact O-N 3.36Å |
| 224 | D | 89.3 | Confident | 88.9 | Confident | 45 Ų | 45 | 50.6 Ų | 50.6 | 24% | 0.241 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.2 | -39.7 | 176.6 | -66.7 | -31.6 | 0 | 0 | 0 | 112 | K95 S220 R221 I222 E227 L228 | K95-D224 HydrophobicContact CD-CB 4.08Å; K95-D224 WeakPolarHBondContact CD-OD2 3.46Å; K95-D224 WeakPolarHBondContact CE-OD2 3.37Å; K95-D224 IonicContact NZ-OD1 3.83Å; K95-D224 PolarHBondContact NZ-OD1 3.15Å; K95-D224 IonicContact NZ-OD2 2.93Å; K95-D224 PolarHBondContact NZ-OD2 2.99Å; S220-D224 VanDerWaalsContact O-CG 3.28Å; S220-D224 PolarHBondContact O-N 3.02Å; S220-D224 VanDerWaalsContact O-N 3.11Å; R221-D224 WeakPolarHBondContact O-CB 3.38Å; R221-D224 PolarHBondContact O-N 3.18Å; I222-D224 PolarHBondContact O-N 3.07Å; D224-E227 WeakPolarHBondContact O-CB 3.24Å; D224-E227 PolarHBondContact O-N 3.37Å; D224-L228 PolarHBondContact O-N 2.82Å |
| 225 | I | 91.8 | Very high | 88.7 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.9 | -42.7 | 173.8 | -67.4 | 169.2 | 0 | 0 | 0 | 110.9 | I144 F147 N148 E151 R221 I222 K223 E227 L228 F229 | I144-I225 HydrophobicContact CG2-CG2 3.89Å; F147-I225 HydrophobicContact CB-CD1 4.5Å; F147-I225 HydrophobicContact CD1-CD1 3.37Å; F147-I225 HydrophobicContact CD1-CG1 3.38Å; F147-I225 HydrophobicContact CD2-CD1 4.03Å; F147-I225 HydrophobicContact CE1-CD1 3.35Å; F147-I225 HydrophobicContact CE1-CG1 3.25Å; F147-I225 HydrophobicContact CE2-CD1 4.01Å; F147-I225 HydrophobicContact CG-CD1 3.71Å; F147-I225 HydrophobicContact CG-CG1 4.22Å; F147-I225 HydrophobicContact CZ-CD1 3.68Å; F147-I225 HydrophobicContact CZ-CG1 4.02Å; N148-I225 HydrophobicContact CB-CG2 3.89Å; E151-I225 HydrophobicContact CB-CD1 4.39Å; E151-I225 HydrophobicContact CG-CD1 3.88Å; R221-I225 VanDerWaalsContact O-CG1 3.3Å; R221-I225 WeakPolarHBondContact O-CG1 3.25Å; R221-I225 PolarHBondContact O-N 3.45Å; I222-I225 WeakPolarHBondContact O-CB 3.32Å; I222-I225 PolarHBondContact O-N 3.35Å; K223-I225 VanDerWaalsContact C-N 3.33Å; K223-I225 PolarHBondContact O-N 2.97Å; I225-E227 VanDerWaalsContact C-N 3.28Å; I225-E227 PolarHBondContact O-N 2.96Å; I225-L228 WeakPolarHBondContact O-CB 3.46Å; I225-L228 PolarHBondContact O-N 3.4Å; I225-F229 HydrophobicContact CG2-CD2 3.69Å; I225-F229 HydrophobicContact CG2-CE2 3.54Å; I225-F229 WeakPolarHBondContact O-CD2 3.5Å; I225-F229 PolarHBondContact O-N 3.47Å |
| 226 | H | 90.1 | Very high | 88.1 | Confident | 122 Ų | 122 | 53 Ų | 53 | 57% | 0.565 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -61.2 | -38.4 | 178.4 | -118.1 | -71.7 | 0 | 0 | 0 | 112.2 | I222 K223 F229 F230 | I222-H226 WeakPolarHBondContact O-CB 3.29Å; I222-H226 PolarHBondContact O-N 3.16Å; K223-H226 WeakPolarHBondContact O-CB 3.47Å; K223-H226 PolarHBondContact O-N 3.4Å; H226-F229 WeakPolarHBondContact O-CB 3.47Å; H226-F229 PolarHBondContact O-N 2.9Å; H226-F230 WeakPolarHBondContact O-CB 3.36Å; H226-F230 PolarHBondContact O-N 3.05Å |
| 227 | E | 91.3 | Very high | 87.4 | Confident | 100 Ų | 100 | 57 Ų | 57 | 47% | 0.467 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61.5 | -46.6 | 173.3 | -178.6 | 59.1 | -153.3 | 0 | 0 | 111 | K223 D224 I225 F229 F230 Q231 | K223-E227 PolarHBondContact O-N 3.36Å; D224-E227 WeakPolarHBondContact O-CB 3.24Å; D224-E227 PolarHBondContact O-N 3.37Å; I225-E227 VanDerWaalsContact C-N 3.28Å; I225-E227 PolarHBondContact O-N 2.96Å; E227-F229 VanDerWaalsContact C-N 3.31Å; E227-F229 PolarHBondContact O-N 3.23Å; E227-F230 PolarHBondContact O-N 2.93Å; E227-Q231 WeakPolarHBondContact O-CB 3.44Å; E227-Q231 VanDerWaalsContact O-CG 3.25Å; E227-Q231 WeakPolarHBondContact O-CG 3.48Å; E227-Q231 PolarHBondContact O-N 3.03Å; E227-Q231 PolarHBondContact OE1-NE2 3.33Å |
| 228 | L | 90.7 | Very high | 86.4 | Confident | 8 Ų | 8 | 59.1 Ų | 59.1 | 4% | 0.042 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.3 | -37.5 | 175 | -68 | 174 | 0 | 0 | 0 | 112.4 | E99 I144 D224 I225 L232 | E99-L228 HydrophobicContact CG-CD2 4.22Å; I144-L228 HydrophobicContact CD1-CD1 3.91Å; D224-L228 PolarHBondContact O-N 2.82Å; I225-L228 WeakPolarHBondContact O-CB 3.46Å; I225-L228 PolarHBondContact O-N 3.4Å; L228-L232 VanDerWaalsContact O-CB 3.26Å; L228-L232 WeakPolarHBondContact O-CB 3.3Å; L228-L232 PolarHBondContact O-N 3.33Å |
| 229 | F | 88.8 | Confident | 85 | Confident | 42 Ų | 42 | 60.7 Ų | 60.7 | 18% | 0.184 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -65.2 | -43.2 | 174.3 | -87.1 | -60.1 | 0 | 0 | 0 | 112.7 | H141 I144 N148 I225 H226 E227 Q231 L232 A233 | H141-F229 AromaticContact NE2-CE1 4Å; I144-F229 HydrophobicContact CB-CZ 4.48Å; I144-F229 HydrophobicContact CG2-CD1 4.24Å; I144-F229 HydrophobicContact CG2-CD2 4.04Å; I144-F229 HydrophobicContact CG2-CE1 3.99Å; I144-F229 HydrophobicContact CG2-CE2 3.79Å; I144-F229 HydrophobicContact CG2-CG 4.26Å; I144-F229 HydrophobicContact CG2-CZ 3.77Å; N148-F229 HydrophobicContact CB-CE2 3.88Å; N148-F229 HydrophobicContact CB-CZ 4.33Å; I225-F229 HydrophobicContact CG2-CD2 3.69Å; I225-F229 HydrophobicContact CG2-CE2 3.54Å; I225-F229 WeakPolarHBondContact O-CD2 3.5Å; I225-F229 PolarHBondContact O-N 3.47Å; H226-F229 WeakPolarHBondContact O-CB 3.47Å; H226-F229 PolarHBondContact O-N 2.9Å; E227-F229 VanDerWaalsContact C-N 3.31Å; E227-F229 PolarHBondContact O-N 3.23Å; F229-Q231 VanDerWaalsContact C-N 3.35Å; F229-L232 PolarHBondContact O-N 2.94Å; F229-A233 WeakPolarHBondContact O-CB 3.34Å; F229-A233 PolarHBondContact O-N 3.14Å |
| 230 | F | 89.8 | Confident | 83.7 | Confident | 141 Ų | 141 | 60.8 Ų | 60.8 | 62% | 0.618 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -62.5 | -46.1 | 178.3 | -178.5 | -101.7 | 0 | 0 | 0 | 110.8 | H226 E227 L232 A233 L234 | H226-F230 WeakPolarHBondContact O-CB 3.36Å; H226-F230 PolarHBondContact O-N 3.05Å; E227-F230 PolarHBondContact O-N 2.93Å; F230-L232 VanDerWaalsContact C-N 3.31Å; F230-L232 PolarHBondContact O-N 3.27Å; F230-A233 WeakPolarHBondContact O-CB 3.14Å; F230-A233 PolarHBondContact O-N 3.01Å; F230-L234 PolarHBondContact O-N 3.46Å; F230-L234 VanDerWaalsContact O-N 3.08Å |
| 231 | Q | 87.5 | Confident | 82 | Confident | 45 Ų | 45 | 62.1 Ų | 62.1 | 21% | 0.21 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -60 | -40.7 | 174.7 | -71.7 | 176.5 | 4.3 | 0 | 0 | 112.2 | Y102 E227 F229 L234 L235 | Y102-Q231 HydrophobicContact CD2-CB 4.13Å; Y102-Q231 HydrophobicContact CE1-CB 4.36Å; Y102-Q231 HydrophobicContact CE2-CB 3.49Å; Y102-Q231 VanDerWaalsContact CE2-CB 3.49Å; Y102-Q231 HydrophobicContact CE2-CG 4.49Å; E227-Q231 WeakPolarHBondContact O-CB 3.44Å; E227-Q231 VanDerWaalsContact O-CG 3.25Å; E227-Q231 WeakPolarHBondContact O-CG 3.48Å; E227-Q231 PolarHBondContact O-N 3.03Å; E227-Q231 PolarHBondContact OE1-NE2 3.33Å; F229-Q231 VanDerWaalsContact C-N 3.35Å; Q231-L234 WeakPolarHBondContact O-CB 3.48Å; Q231-L234 PolarHBondContact O-N 3.36Å; Q231-L235 PolarHBondContact O-N 2.91Å; Q231-L235 VanDerWaalsContact O-N 3.15Å |
| 232 | L | 86.9 | Confident | 80.2 | Confident | 3 Ų | 3 | 63.5 Ų | 63.5 | 2% | 0.016 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -68.7 | -37.4 | 176.9 | -172.3 | 58.2 | 0 | 0 | 0 | 112.8 | T137 F140 H141 L228 F229 F230 L234 L235 V236 | T137-L232 HydrophobicContact CG2-CD1 3.61Å; F140-L232 HydrophobicContact CD1-CD1 4.02Å; F140-L232 HydrophobicContact CD1-CD2 4.04Å; H141-L232 HydrophobicContact CB-CD2 3.65Å; L228-L232 VanDerWaalsContact O-CB 3.26Å; L228-L232 WeakPolarHBondContact O-CB 3.3Å; L228-L232 PolarHBondContact O-N 3.33Å; F229-L232 PolarHBondContact O-N 2.94Å; F230-L232 VanDerWaalsContact C-N 3.31Å; F230-L232 PolarHBondContact O-N 3.27Å; L232-L234 VanDerWaalsContact C-N 3.31Å; L232-L234 PolarHBondContact O-N 2.95Å; L232-L235 HydrophobicContact CD1-CD1 4.4Å; L232-L235 WeakPolarHBondContact O-CB 3.38Å; L232-L235 PolarHBondContact O-N 2.95Å; L232-V236 WeakPolarHBondContact O-CG2 3.45Å; L232-V236 PolarHBondContact O-N 3.33Å; L232-V236 VanDerWaalsContact O-N 3.09Å |
| 233 | A | 84.8 | Confident | 78.4 | Confident | 58 Ų | 58 | 68.6 Ų | 68.6 | 48% | 0.479 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -61.5 | -42 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | F229 F230 L235 V236 E237 | F229-A233 WeakPolarHBondContact O-CB 3.34Å; F229-A233 PolarHBondContact O-N 3.14Å; F230-A233 WeakPolarHBondContact O-CB 3.14Å; F230-A233 PolarHBondContact O-N 3.01Å; A233-L235 PolarHBondContact O-N 3.34Å; A233-V236 PolarHBondContact O-N 3.38Å; A233-E237 WeakPolarHBondContact O-CB 3.48Å; A233-E237 PolarHBondContact O-N 2.73Å |
| 234 | L | 83.6 | Confident | 76.7 | Confident | 76 Ų | 76 | 68 Ų | 68 | 40% | 0.398 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -60.4 | -44 | 174.8 | -177 | 67.2 | 0 | 0 | 0 | 111.8 | F230 Q231 L232 V236 E237 E238 | F230-L234 PolarHBondContact O-N 3.46Å; F230-L234 VanDerWaalsContact O-N 3.08Å; Q231-L234 WeakPolarHBondContact O-CB 3.48Å; Q231-L234 PolarHBondContact O-N 3.36Å; L232-L234 VanDerWaalsContact C-N 3.31Å; L232-L234 PolarHBondContact O-N 2.95Å; L234-V236 VanDerWaalsContact C-N 3.31Å; L234-V236 PolarHBondContact O-N 2.89Å; L234-E237 PolarHBondContact O-N 3.34Å; L234-E238 WeakPolarHBondContact O-CB 3.15Å; L234-E238 PolarHBondContact O-N 3.4Å |
| 235 | L | 80.2 | Confident | 75.4 | Confident | 9 Ų | 9 | 68.7 Ų | 68.7 | 5% | 0.047 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -60.5 | -38.9 | 177 | -76.5 | -176.3 | 0 | 0 | 0 | 113 | Y102 L105 E106 Y133 Q231 L232 A233 Q239 | Y102-L235 HydrophobicContact CD2-CD1 3.81Å; Y102-L235 HydrophobicContact CE2-CD1 3.34Å; Y102-L235 HydrophobicContact CE2-CG 3.82Å; L105-L235 HydrophobicContact CB-CD1 4.31Å; E106-L235 HydrophobicContact CG-CD2 4.42Å; Y133-L235 WeakPolarHBondContact OH-CB 3.49Å; Q231-L235 PolarHBondContact O-N 2.91Å; Q231-L235 VanDerWaalsContact O-N 3.15Å; L232-L235 HydrophobicContact CD1-CD1 4.4Å; L232-L235 WeakPolarHBondContact O-CB 3.38Å; L232-L235 PolarHBondContact O-N 2.95Å; A233-L235 PolarHBondContact O-N 3.34Å; L235-Q239 PolarHBondContact O-NE2 3.37Å; L235-Q239 VanDerWaalsContact O-NE2 3.11Å |
| 236 | V | 75.7 | Confident | 73.9 | Confident | 50 Ų | 50 | 74.3 Ų | 74.3 | 30% | 0.303 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -72.1 | -41.5 | 177.9 | 174 | 0 | 0 | 0 | 0 | 110.9 | T137 L232 A233 L234 Q239 G240 M242 | T137-V236 HydrophobicContact CG2-CG2 3.91Å; L232-V236 WeakPolarHBondContact O-CG2 3.45Å; L232-V236 PolarHBondContact O-N 3.33Å; L232-V236 VanDerWaalsContact O-N 3.09Å; A233-V236 PolarHBondContact O-N 3.38Å; L234-V236 VanDerWaalsContact C-N 3.31Å; L234-V236 PolarHBondContact O-N 2.89Å; V236-Q239 PolarHBondContact O-N 3.42Å; V236-G240 PolarHBondContact O-N 3.24Å; V236-M242 HydrophobicContact CG1-CE 4.39Å; V236-M242 HydrophobicContact CG2-CE 4.1Å |
| 237 | E | 73.9 | Confident | 72.6 | Confident | 154 Ų | 154 | 75.9 Ų | 75.9 | 72% | 0.72 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -62.7 | -45.1 | 177.6 | -174.1 | 173.8 | -168.3 | 0 | 0 | 111.7 | A233 L234 Q239 G240 | A233-E237 WeakPolarHBondContact O-CB 3.48Å; A233-E237 PolarHBondContact O-N 2.73Å; L234-E237 PolarHBondContact O-N 3.34Å; E237-Q239 PolarHBondContact O-N 3.29Å; E237-Q239 VanDerWaalsContact O-N 3.1Å; E237-G240 PolarHBondContact O-N 2.92Å; E237-G240 VanDerWaalsContact O-N 3.09Å |
| 238 | E | 67.7 | Low | 71.6 | Confident | 106 Ų | 106 | 73.7 Ų | 73.7 | 50% | 0.495 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -17.1 | 178.8 | -83.7 | -165.1 | -169.4 | 0 | 0 | 114.8 | K113 L234 | K113-E238 IonicContact NZ-OE2 3.76Å; K113-E238 PolarHBondContact NZ-OE2 3.46Å; L234-E238 WeakPolarHBondContact O-CB 3.15Å; L234-E238 PolarHBondContact O-N 3.4Å |
| 239 | Q | 59.3 | Low | 70.5 | Confident | 34 Ų | 34 | 76 Ų | 76 | 16% | 0.159 | 41% | 0.413 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.1 | -4.3 | 178.2 | -93.9 | 162.2 | 70 | 0 | 0 | 114.6 | Y133 L235 V236 E237 | Y133-Q239 PolarHBondContact OH-NE2 2.97Å; L235-Q239 PolarHBondContact O-NE2 3.37Å; L235-Q239 VanDerWaalsContact O-NE2 3.11Å; V236-Q239 PolarHBondContact O-N 3.42Å; E237-Q239 PolarHBondContact O-N 3.29Å; E237-Q239 VanDerWaalsContact O-N 3.1Å |
| 240 | G | 62.1 | Low | 69.6 | Low | 40 Ų | 40 | 78.4 Ų | 78.4 | 41% | 0.412 | 43% | 0.431 | S | S | . | . | trans | 72 | -169.1 | -171.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | V236 E237 M242 | V236-G240 PolarHBondContact O-N 3.24Å; E237-G240 PolarHBondContact O-N 2.92Å; E237-G240 VanDerWaalsContact O-N 3.09Å; G240-M242 PolarHBondContact O-N 3.45Å | ||
| 241 | S | 55 | Low | 68.6 | Low | 91 Ų | 91 | 73.5 Ų | 73.5 | 64% | 0.636 | 42% | 0.42 | S | S | * | . | trans | -59.2 | 109.4 | 174.8 | 59.3 | 0 | 0 | 0 | 0 | 108.8 | L243 | S241-L243 PolarHBondContact O-N 3.48Š| ||
| 242 | M | 53.4 | Low | 67.6 | Low | 53 Ų | 53 | 72.6 Ų | 72.6 | 26% | 0.261 | 42% | 0.42 | S | S | . | . | trans | -60.3 | 74.3 | 166 | -71.3 | -160.2 | -59.5 | 0 | 0 | 108.2 | V134 T137 V236 G240 D244 | V134-M242 HydrophobicContact CB-SD 3.97Å; V134-M242 HydrophobicContact CG1-CB 4.18Å; V134-M242 HydrophobicContact CG1-CG 4.33Å; V134-M242 HydrophobicContact CG1-SD 3.69Å; V134-M242 HydrophobicContact CG2-CB 4.45Å; V134-M242 HydrophobicContact CG2-CG 4.03Å; V134-M242 HydrophobicContact CG2-SD 3.78Å; T137-M242 HydrophobicContact CG2-CE 4.45Å; T137-M242 HydrophobicContact CG2-SD 4.43Å; V236-M242 HydrophobicContact CG1-CE 4.39Å; V236-M242 HydrophobicContact CG2-CE 4.1Å; G240-M242 PolarHBondContact O-N 3.45Å; M242-D244 PolarHBondContact O-N 3.28Å | ||
| 243 | L | 52.3 | Low | 66.6 | Low | 122 Ų | 122 | 74.5 Ų | 74.5 | 64% | 0.639 | 43% | 0.432 | S | S | * | . | trans | -75.2 | 101.2 | 174.4 | -85.6 | 169.1 | 0 | 0 | 0 | 105.7 | S241 N245 | S241-L243 PolarHBondContact O-N 3.48Å; L243-N245 HydrophobicContact CB-CB 4.25Å; L243-N245 PolarHBondContact O-N 3Å | ||
| 244 | D | 57.5 | Low | 65.7 | Low | 128 Ų | 128 | 78.6 Ų | 78.6 | 68% | 0.684 | 44% | 0.441 | S | S | * | . | trans | -66.4 | 55.9 | 160.1 | -159.2 | 14.6 | 0 | 0 | 0 | 108.9 | M242 I246 | M242-D244 PolarHBondContact O-N 3.28Å; D244-I246 PolarHBondContact O-N 3.07Å | ||
| 245 | N | 60.7 | Low | 64.7 | Low | 61 Ų | 61 | 79.9 Ų | 79.9 | 33% | 0.326 | 45% | 0.448 | S | S | . | . | trans | -95.1 | 87.7 | 178.1 | -164.9 | -2.5 | 0 | 0 | 0 | 107.4 | L243 E247 A248 N249 | L243-N245 HydrophobicContact CB-CB 4.25Å; L243-N245 PolarHBondContact O-N 3Å; N245-E247 PolarHBondContact O-N 2.97Å; N245-E247 VanDerWaalsContact O-N 3.15Å; N245-E247 WeakPolarHBondContact OD1-CB 3.13Å; N245-E247 PolarHBondContact OD1-N 3.23Å; N245-A248 HydrophobicContact CB-CB 3.81Å; N245-A248 PolarHBondContact O-N 2.88Å; N245-N249 PolarHBondContact O-N 3.2Å | ||
| 246 | I | 61.1 | Low | 64 | Low | 118 Ų | 118 | 83.6 Ų | 83.6 | 61% | 0.605 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -49.4 | -38 | 173 | -62.2 | 173.4 | 0 | 0 | 0 | 109.7 | D244 N249 V250 | D244-I246 PolarHBondContact O-N 3.07Å; I246-N249 PolarHBondContact O-N 3.47Å; I246-V250 HydrophobicContact CG2-CG2 4.15Å; I246-V250 WeakPolarHBondContact O-CB 3.36Å; I246-V250 WeakPolarHBondContact O-CG2 3.12Å; I246-V250 PolarHBondContact O-N 3.48Å |
| 247 | E | 63.1 | Low | 63.7 | Low | 154 Ų | 154 | 85.2 Ų | 85.2 | 72% | 0.72 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -63.8 | -44.7 | 177.4 | -170.3 | 179.2 | -167.2 | 0 | 0 | 112.4 | N245 V250 G251 | N245-E247 PolarHBondContact O-N 2.97Å; N245-E247 VanDerWaalsContact O-N 3.15Å; N245-E247 WeakPolarHBondContact OD1-CB 3.13Å; N245-E247 PolarHBondContact OD1-N 3.23Å; E247-V250 PolarHBondContact O-N 3.17Å; E247-G251 PolarHBondContact O-N 3.08Å |
| 248 | A | 69 | Low | 63.5 | Low | 54 Ų | 54 | 80.7 Ų | 80.7 | 45% | 0.446 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -64.7 | -41.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | N245 V250 G251 A252 | N245-A248 HydrophobicContact CB-CB 3.81Å; N245-A248 PolarHBondContact O-N 2.88Å; A248-V250 PolarHBondContact O-N 3.44Å; A248-G251 PolarHBondContact O-N 3.25Å; A248-A252 WeakPolarHBondContact O-CB 3.4Å; A248-A252 PolarHBondContact O-N 3.21Å |
| 249 | N | 67.4 | Low | 63.6 | Low | 58 Ų | 58 | 82.1 Ų | 82.1 | 31% | 0.31 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -65.6 | -37.3 | 177.7 | -74.4 | -24.1 | 0 | 0 | 0 | 112.4 | R127 N245 I246 T253 | R127-N249 PolarHBondContact NH1-O 3.07Å; N245-N249 PolarHBondContact O-N 3.2Å; I246-N249 PolarHBondContact O-N 3.47Å; N249-T253 PolarHBondContact O-OG1 2.76Å; N249-T253 VanDerWaalsContact O-OG1 3.12Å |
| 250 | V | 71 | Confident | 64.2 | Low | 92 Ų | 92 | 82.8 Ų | 82.8 | 56% | 0.558 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -74.2 | -44.4 | 176.4 | 171.3 | 0 | 0 | 0 | 0 | 110.7 | I246 E247 A248 A252 T253 | I246-V250 HydrophobicContact CG2-CG2 4.15Å; I246-V250 WeakPolarHBondContact O-CB 3.36Å; I246-V250 WeakPolarHBondContact O-CG2 3.12Å; I246-V250 PolarHBondContact O-N 3.48Å; E247-V250 PolarHBondContact O-N 3.17Å; A248-V250 PolarHBondContact O-N 3.44Å; V250-A252 VanDerWaalsContact C-N 3.31Å; V250-A252 PolarHBondContact O-N 3.04Å; V250-T253 WeakPolarHBondContact O-CB 3.25Å; V250-T253 PolarHBondContact O-N 2.87Å; V250-T253 PolarHBondContact O-OG1 3.22Å |
| 251 | G | 67.8 | Low | 64.9 | Low | 38 Ų | 38 | 84 Ų | 84 | 39% | 0.392 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -56.3 | -43.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | E247 A248 T253 Q254 | E247-G251 PolarHBondContact O-N 3.08Å; A248-G251 PolarHBondContact O-N 3.25Å; G251-T253 PolarHBondContact O-N 3.24Å; G251-Q254 WeakPolarHBondContact O-CB 3.27Å; G251-Q254 PolarHBondContact O-N 2.9Å; G251-Q254 VanDerWaalsContact O-N 3.12Å |
| 252 | A | 66.9 | Low | 66.1 | Low | 25 Ų | 25 | 83.3 Ų | 83.3 | 21% | 0.207 | 47% | 0.468 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -14.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | T122 A248 V250 | T122-A252 HydrophobicContact CG2-CB 4.14Å; A248-A252 WeakPolarHBondContact O-CB 3.4Å; A248-A252 PolarHBondContact O-N 3.21Å; V250-A252 VanDerWaalsContact C-N 3.31Å; V250-A252 PolarHBondContact O-N 3.04Å |
| 253 | T | 67.1 | Low | 67.2 | Low | 44 Ų | 44 | 85.5 Ų | 85.5 | 27% | 0.27 | 48% | 0.478 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -21.2 | 177.9 | -43.7 | 0 | 0 | 0 | 0 | 112.5 | R127 N249 V250 G251 D255 Y256 V257 | R127-T253 VanDerWaalsContact CZ-OG1 3.3Å; R127-T253 PolarHBondContact NH1-OG1 3.38Å; R127-T253 PolarHBondContact NH2-OG1 3.1Å; N249-T253 PolarHBondContact O-OG1 2.76Å; N249-T253 VanDerWaalsContact O-OG1 3.12Å; V250-T253 WeakPolarHBondContact O-CB 3.25Å; V250-T253 PolarHBondContact O-N 2.87Å; V250-T253 PolarHBondContact O-OG1 3.22Å; G251-T253 PolarHBondContact O-N 3.24Å; T253-D255 VanDerWaalsContact C-N 3.27Å; T253-D255 PolarHBondContact O-N 3.41Å; T253-Y256 PolarHBondContact O-N 3.17Å; T253-V257 HydrophobicContact CG2-CG2 4.35Å; T253-V257 PolarHBondContact O-N 2.94Å |
| 254 | Q | 65.1 | Low | 68.6 | Low | 143 Ų | 143 | 84.7 Ų | 84.7 | 67% | 0.668 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -59.9 | -37.5 | -171.9 | -169 | 171.9 | 11 | 0 | 0 | 112.2 | G251 Y256 V257 A258 | G251-Q254 WeakPolarHBondContact O-CB 3.27Å; G251-Q254 PolarHBondContact O-N 2.9Å; G251-Q254 VanDerWaalsContact O-N 3.12Å; Q254-Y256 PolarHBondContact O-N 3.17Å; Q254-V257 PolarHBondContact O-N 3.42Å; Q254-A258 PolarHBondContact O-N 3.28Å; Q254-A258 VanDerWaalsContact O-N 3.16Å |
| 255 | D | 62.5 | Low | 69.7 | Low | 104 Ų | 104 | 85.2 Ų | 85.2 | 56% | 0.556 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -66.9 | -34 | -179.2 | -64.2 | -22.1 | 0 | 0 | 0 | 113.1 | T253 K259 | T253-D255 VanDerWaalsContact C-N 3.27Å; T253-D255 PolarHBondContact O-N 3.41Å; D255-K259 PolarHBondContact O-N 2.62Å |
| 256 | Y | 66.1 | Low | 70.7 | Confident | 87 Ų | 87 | 86 Ų | 86 | 34% | 0.341 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -75.4 | -34.5 | 175.7 | -85.5 | -87.3 | 0 | 0 | 0 | 112.4 | T122 T253 Q254 A258 K259 A260 | T122-Y256 WeakPolarHBondContact O-CE2 3.38Å; T253-Y256 PolarHBondContact O-N 3.17Å; Q254-Y256 PolarHBondContact O-N 3.17Å; Y256-A258 VanDerWaalsContact C-N 3.28Å; Y256-A258 PolarHBondContact O-N 3.06Å; Y256-K259 PolarHBondContact O-N 3Å; Y256-A260 WeakPolarHBondContact O-CB 3.31Å; Y256-A260 PolarHBondContact O-N 3.03Å |
| 257 | V | 68.8 | Low | 71.5 | Confident | 83 Ų | 83 | 82.9 Ų | 82.9 | 50% | 0.503 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -63.3 | -37.4 | 174.8 | 176.6 | 0 | 0 | 0 | 0 | 110.8 | T253 Q254 A260 T261 | T253-V257 HydrophobicContact CG2-CG2 4.35Å; T253-V257 PolarHBondContact O-N 2.94Å; Q254-V257 PolarHBondContact O-N 3.42Å; V257-A260 PolarHBondContact O-N 2.74Å; V257-T261 WeakPolarHBondContact O-CB 3.3Å; V257-T261 PolarHBondContact O-N 3.4Å; V257-T261 PolarHBondContact O-OG1 3.03Å |
| 258 | A | 69.3 | Low | 72.3 | Confident | 60 Ų | 60 | 79.9 Ų | 79.9 | 50% | 0.496 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -59.9 | -46.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q254 Y256 T261 V262 | Q254-A258 PolarHBondContact O-N 3.28Å; Q254-A258 VanDerWaalsContact O-N 3.16Å; Y256-A258 VanDerWaalsContact C-N 3.28Å; Y256-A258 PolarHBondContact O-N 3.06Å; A258-T261 WeakPolarHBondContact O-CB 3.43Å; A258-T261 PolarHBondContact O-N 3.13Å; A258-V262 PolarHBondContact O-N 3.47Å |
| 259 | K | 69.4 | Low | 72.9 | Confident | 136 Ų | 136 | 82.4 Ų | 82.4 | 59% | 0.591 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -63.6 | -44.9 | 175.5 | -68.5 | 177.8 | -178.9 | 175.6 | 0 | 112.4 | D255 Y256 T261 V262 E263 | D255-K259 PolarHBondContact O-N 2.62Å; Y256-K259 PolarHBondContact O-N 3Å; K259-T261 VanDerWaalsContact C-N 3.27Å; K259-T261 PolarHBondContact O-N 3.21Å; K259-V262 WeakPolarHBondContact O-CB 3.42Å; K259-V262 PolarHBondContact O-N 3.42Å; K259-V262 VanDerWaalsContact O-N 3.1Å; K259-E263 PolarHBondContact O-N 3.21Å; K259-E263 VanDerWaalsContact O-N 3.17Å |
| 260 | A | 73.1 | Confident | 73.3 | Confident | 48 Ų | 48 | 83.1 Ų | 83.1 | 40% | 0.397 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -60.5 | -37.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y256 V257 V262 E263 I264 | Y256-A260 WeakPolarHBondContact O-CB 3.31Å; Y256-A260 PolarHBondContact O-N 3.03Å; V257-A260 PolarHBondContact O-N 2.74Å; A260-V262 VanDerWaalsContact C-N 3.28Å; A260-V262 PolarHBondContact O-N 2.89Å; A260-E263 PolarHBondContact O-N 3.43Å; A260-I264 VanDerWaalsContact O-CG1 3.3Å; A260-I264 WeakPolarHBondContact O-CG1 3.49Å; A260-I264 PolarHBondContact O-N 3.2Å |
| 261 | T | 76.7 | Confident | 73.4 | Confident | 65 Ų | 65 | 85.4 Ų | 85.4 | 40% | 0.399 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -61.8 | -37.1 | 176.3 | -55.7 | 0 | 0 | 0 | 0 | 111.7 | V257 A258 K259 K265 | V257-T261 WeakPolarHBondContact O-CB 3.3Å; V257-T261 PolarHBondContact O-N 3.4Å; V257-T261 PolarHBondContact O-OG1 3.03Å; A258-T261 WeakPolarHBondContact O-CB 3.43Å; A258-T261 PolarHBondContact O-N 3.13Å; K259-T261 VanDerWaalsContact C-N 3.27Å; K259-T261 PolarHBondContact O-N 3.21Å; T261-K265 VanDerWaalsContact O-CG 3.31Å; T261-K265 WeakPolarHBondContact O-CG 3.36Å; T261-K265 PolarHBondContact O-N 3.49Å |
| 262 | V | 79.4 | Confident | 73.7 | Confident | 76 Ų | 76 | 91.5 Ų | 91.5 | 46% | 0.461 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -66.5 | -45.4 | 175.3 | 175.9 | 0 | 0 | 0 | 0 | 111.1 | A258 K259 A260 K265 K266 | A258-V262 PolarHBondContact O-N 3.47Å; K259-V262 WeakPolarHBondContact O-CB 3.42Å; K259-V262 PolarHBondContact O-N 3.42Å; K259-V262 VanDerWaalsContact O-N 3.1Å; A260-V262 VanDerWaalsContact C-N 3.28Å; A260-V262 PolarHBondContact O-N 2.89Å; V262-K265 WeakPolarHBondContact O-CB 3.22Å; V262-K265 PolarHBondContact O-N 3.44Å; V262-K266 PolarHBondContact O-N 3.36Å |
| 263 | E | 77.9 | Confident | 73.9 | Confident | 99 Ų | 99 | 94.6 Ų | 94.6 | 46% | 0.463 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66.3 | -37.2 | 178.1 | -66.2 | -54.1 | 135.8 | 0 | 0 | 112.6 | K259 A260 K265 K266 A267 | K259-E263 PolarHBondContact O-N 3.21Å; K259-E263 VanDerWaalsContact O-N 3.17Å; A260-E263 PolarHBondContact O-N 3.43Å; E263-K265 VanDerWaalsContact C-N 3.34Å; E263-K265 PolarHBondContact O-N 3.3Å; E263-K266 WeakPolarHBondContact O-CB 3.36Å; E263-K266 PolarHBondContact O-N 2.9Å; E263-K266 IonicContact OE1-NZ 3.16Å; E263-K266 PolarHBondContact OE1-NZ 3.16Å; E263-K266 WeakPolarHBondContact OE2-CD 3.44Å; E263-K266 IonicContact OE2-NZ 2.68Å; E263-A267 PolarHBondContact O-N 3.07Å |
| 264 | I | 80.6 | Confident | 74 | Confident | 106 Ų | 106 | 95.7 Ų | 95.7 | 54% | 0.544 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63 | -41.4 | 172.7 | -69.7 | 168.7 | 0 | 0 | 0 | 110.7 | A260 K266 A267 V268 | A260-I264 VanDerWaalsContact O-CG1 3.3Å; A260-I264 WeakPolarHBondContact O-CG1 3.49Å; A260-I264 PolarHBondContact O-N 3.2Å; I264-K266 VanDerWaalsContact C-N 3.31Å; I264-K266 PolarHBondContact O-N 2.86Å; I264-A267 PolarHBondContact O-N 3.01Å; I264-V268 HydrophobicContact CG2-CG2 4.49Å; I264-V268 WeakPolarHBondContact O-CG2 3.48Å; I264-V268 PolarHBondContact O-N 3.28Å |
| 265 | K | 81.1 | Confident | 74.1 | Confident | 139 Ų | 139 | 92.7 Ų | 92.7 | 60% | 0.604 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -60.4 | -40.9 | 174.5 | -75.4 | 174.3 | 179.6 | -178.2 | 0 | 111.4 | T261 V262 E263 V268 K269 | T261-K265 VanDerWaalsContact O-CG 3.31Å; T261-K265 WeakPolarHBondContact O-CG 3.36Å; T261-K265 PolarHBondContact O-N 3.49Å; V262-K265 WeakPolarHBondContact O-CB 3.22Å; V262-K265 PolarHBondContact O-N 3.44Å; E263-K265 VanDerWaalsContact C-N 3.34Å; E263-K265 PolarHBondContact O-N 3.3Å; K265-V268 PolarHBondContact O-N 2.97Å; K265-K269 PolarHBondContact O-N 3.37Å |
| 266 | K | 80.9 | Confident | 74.1 | Confident | 77 Ų | 77 | 91.3 Ų | 91.3 | 34% | 0.335 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.3 | -44.8 | 173.1 | -67.7 | 176.4 | -175.1 | 168.7 | 0 | 111.8 | V262 E263 I264 V268 K269 Y270 | V262-K266 PolarHBondContact O-N 3.36Å; E263-K266 WeakPolarHBondContact O-CB 3.36Å; E263-K266 PolarHBondContact O-N 2.9Å; E263-K266 IonicContact OE1-NZ 3.16Å; E263-K266 PolarHBondContact OE1-NZ 3.16Å; E263-K266 WeakPolarHBondContact OE2-CD 3.44Å; E263-K266 IonicContact OE2-NZ 2.68Å; I264-K266 VanDerWaalsContact C-N 3.31Å; I264-K266 PolarHBondContact O-N 2.86Å; K266-V268 VanDerWaalsContact C-N 3.31Å; K266-V268 PolarHBondContact O-N 2.9Å; K266-K269 CarbonylContact O-C 3.56Å; K266-K269 WeakPolarHBondContact O-CA 3.39Å; K266-K269 WeakPolarHBondContact O-CB 3.44Å; K266-K269 PolarHBondContact O-N 2.81Å; K266-K269 VanDerWaalsContact O-N 3.07Å; K266-Y270 HydrophobicContact CB-CE2 4.45Å; K266-Y270 PolarHBondContact O-N 3.02Å |
| 267 | A | 77.8 | Confident | 73.9 | Confident | 52 Ų | 52 | 92.6 Ų | 92.6 | 43% | 0.43 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.3 | -37.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | E263 I264 Y270 K271 | E263-A267 PolarHBondContact O-N 3.07Å; I264-A267 PolarHBondContact O-N 3.01Å; A267-Y270 WeakPolarHBondContact O-CB 3.5Å; A267-Y270 PolarHBondContact O-N 3.45Å; A267-K271 PolarHBondContact O-N 3.42Å |
| 268 | V | 81.4 | Confident | 73.5 | Confident | 91 Ų | 91 | 94.8 Ų | 94.8 | 55% | 0.552 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -64.8 | -43.3 | 172.5 | 172.4 | 0 | 0 | 0 | 0 | 110.9 | I264 K265 K266 Y270 K271 K272 | I264-V268 HydrophobicContact CG2-CG2 4.49Å; I264-V268 WeakPolarHBondContact O-CG2 3.48Å; I264-V268 PolarHBondContact O-N 3.28Å; K265-V268 PolarHBondContact O-N 2.97Å; K266-V268 VanDerWaalsContact C-N 3.31Å; K266-V268 PolarHBondContact O-N 2.9Å; V268-Y270 VanDerWaalsContact C-N 3.32Å; V268-Y270 PolarHBondContact O-N 3.3Å; V268-K271 PolarHBondContact O-N 2.85Å; V268-K272 WeakPolarHBondContact O-CB 3.37Å; V268-K272 PolarHBondContact O-N 3.18Å |
| 269 | K | 80.4 | Confident | 73 | Confident | 108 Ų | 108 | 98.4 Ų | 98.4 | 47% | 0.47 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -57.9 | -43.5 | 172.3 | -73.7 | -171.9 | 174 | -162.4 | 0 | 110.9 | E24 K265 K266 K272 N273 | E24-K269 IonicContact OE2-NZ 3.67Å; E24-K269 PolarHBondContact OE2-NZ 3.05Å; E24-K269 VanDerWaalsContact OE2-NZ 3.16Å; K265-K269 PolarHBondContact O-N 3.37Å; K266-K269 CarbonylContact O-C 3.56Å; K266-K269 WeakPolarHBondContact O-CA 3.39Å; K266-K269 WeakPolarHBondContact O-CB 3.44Å; K266-K269 PolarHBondContact O-N 2.81Å; K266-K269 VanDerWaalsContact O-N 3.07Å; K269-K272 PolarHBondContact O-N 2.79Å; K269-N273 WeakPolarHBondContact O-CB 3.46Å; K269-N273 PolarHBondContact O-N 2.84Å |
| 270 | Y | 77.3 | Confident | 72.4 | Confident | 73 Ų | 73 | 97.1 Ų | 97.1 | 29% | 0.286 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.5 | -46.8 | 174.3 | -62.3 | -29.4 | 0 | 0 | 0 | 113.2 | L29 K266 A267 V268 K272 N273 N274 | L29-Y270 HydrophobicContact CB-CD1 4.48Å; L29-Y270 HydrophobicContact CB-CE1 3.41Å; L29-Y270 VanDerWaalsContact CB-CE1 3.41Å; L29-Y270 HydrophobicContact CD1-CD1 4.25Å; L29-Y270 HydrophobicContact CD1-CE1 3.48Å; L29-Y270 VanDerWaalsContact CD1-CE1 3.48Å; L29-Y270 HydrophobicContact CG-CE1 3.95Å; K266-Y270 HydrophobicContact CB-CE2 4.45Å; K266-Y270 PolarHBondContact O-N 3.02Å; A267-Y270 WeakPolarHBondContact O-CB 3.5Å; A267-Y270 PolarHBondContact O-N 3.45Å; V268-Y270 VanDerWaalsContact C-N 3.32Å; V268-Y270 PolarHBondContact O-N 3.3Å; Y270-K272 VanDerWaalsContact C-N 3.28Å; Y270-K272 PolarHBondContact O-N 2.95Å; Y270-N273 CarbonylContact O-C 3.47Å; Y270-N273 PolarHBondContact O-N 3.22Å; Y270-N274 PolarHBondContact O-N 3.28Å |
| 271 | K | 72.7 | Confident | 71.5 | Confident | 140 Ų | 140 | 100.1 Ų | 100.1 | 61% | 0.609 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -61.4 | -38 | 178 | -175 | 178.6 | 178 | -179.8 | 0 | 111.8 | A267 V268 | A267-K271 PolarHBondContact O-N 3.42Å; V268-K271 PolarHBondContact O-N 2.85Å |
| 272 | K | 74.6 | Confident | 70.3 | Confident | 166 Ų | 166 | 103 Ų | 103 | 72% | 0.722 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -71.2 | -36.7 | 176.8 | -170.7 | 177.2 | -179 | 179.5 | 0 | 112.1 | V268 K269 Y270 N274 K278 | V268-K272 WeakPolarHBondContact O-CB 3.37Å; V268-K272 PolarHBondContact O-N 3.18Å; K269-K272 PolarHBondContact O-N 2.79Å; Y270-K272 VanDerWaalsContact C-N 3.28Å; Y270-K272 PolarHBondContact O-N 2.95Å; K272-N274 VanDerWaalsContact C-N 3.34Å; K272-K278 WeakPolarHBondContact O-CE 3.43Å |
| 273 | N | 69.6 | Low | 69 | Low | 90 Ų | 90 | 104.3 Ų | 104.3 | 48% | 0.481 | 54% | 0.544 | S | S | . | . | S | Bend | trans | -89.7 | 7.2 | 179.4 | -75.2 | -9.6 | 0 | 0 | 0 | 114.3 | K269 Y270 P275 K278 | K269-N273 WeakPolarHBondContact O-CB 3.46Å; K269-N273 PolarHBondContact O-N 2.84Å; Y270-N273 CarbonylContact O-C 3.47Å; Y270-N273 PolarHBondContact O-N 3.22Å; N273-P275 VanDerWaalsContact O-CD 3.3Å; N273-P275 WeakPolarHBondContact O-CD 3.36Å; N273-P275 VanDerWaalsContact O-N 3.11Å; N273-K278 PolarHBondContact OD1-NZ 3.17Å |
| 274 | N | 70.6 | Confident | 67.7 | Low | 66 Ų | 66 | 106.1 Ų | 106.1 | 35% | 0.353 | 55% | 0.55 | S | S | . | * | trans | -61.1 | 115 | 179.1 | -174.2 | -18.3 | 0 | 0 | 0 | 110.3 | Y270 K272 C276 K277 K278 | Y270-N274 PolarHBondContact O-N 3.28Å; K272-N274 VanDerWaalsContact C-N 3.34Å; N274-C276 PolarHBondContact O-N 3.28Å; N274-C276 PolarHBondContact OD1-N 3.19Å; N274-C276 VanDerWaalsContact OD1-N 3.13Å; N274-K277 PolarHBondContact O-N 3.4Å; N274-K278 PolarHBondContact O-N 3.4Å | ||
| 275 | P | 65.2 | Low | 66.4 | Low | 81 Ų | 81 | 106.8 Ų | 106.8 | 53% | 0.526 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -61.3 | -28.8 | -174.3 | 22.9 | -32.7 | 0 | 0 | 0 | 112.4 | N273 K277 K278 L279 | N273-P275 VanDerWaalsContact O-CD 3.3Å; N273-P275 WeakPolarHBondContact O-CD 3.36Å; N273-P275 VanDerWaalsContact O-N 3.11Å; P275-K277 VanDerWaalsContact C-N 3.31Å; P275-K277 PolarHBondContact O-N 3.23Å; P275-K278 PolarHBondContact O-N 2.97Å; P275-L279 WeakPolarHBondContact O-CB 3.3Å; P275-L279 PolarHBondContact O-N 3.21Å |
| 276 | C | 63.1 | Low | 65 | Low | 75 Ų | 75 | 105.4 Ų | 105.4 | 51% | 0.507 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -63.8 | -35.1 | 174.9 | -65.8 | 0 | 0 | 0 | 0 | 112.5 | N274 F280 | N274-C276 PolarHBondContact O-N 3.28Å; N274-C276 PolarHBondContact OD1-N 3.19Å; N274-C276 VanDerWaalsContact OD1-N 3.13Å; C276-F280 WeakPolarHBondContact O-CB 3.39Å; C276-F280 PolarHBondContact O-N 2.83Å |
| 277 | K | 61.6 | Low | 63.4 | Low | 113 Ų | 113 | 106.4 Ų | 106.4 | 49% | 0.491 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -76.7 | -31.9 | 174.8 | -74.9 | -167.7 | 172.1 | -164.4 | 0 | 112.7 | N274 P275 | N274-K277 PolarHBondContact O-N 3.4Å; P275-K277 VanDerWaalsContact C-N 3.31Å; P275-K277 PolarHBondContact O-N 3.23Å |
| 278 | K | 61.3 | Low | 61.6 | Low | 129 Ų | 129 | 117.1 Ų | 117.1 | 56% | 0.561 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -78.6 | -36.9 | 179.7 | -71.9 | -173.4 | 174.7 | 176.3 | 0 | 113.2 | K272 N273 N274 P275 | K272-K278 WeakPolarHBondContact O-CE 3.43Å; N273-K278 PolarHBondContact OD1-NZ 3.17Å; N274-K278 PolarHBondContact O-N 3.4Å; P275-K278 PolarHBondContact O-N 2.97Å |
| 279 | L | 58.2 | Low | 60.6 | Low | 136 Ų | 136 | 118.5 Ų | 118.5 | 71% | 0.712 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -92.7 | -31.9 | -177.7 | -93 | 87.4 | 0 | 0 | 0 | 114.5 | P275 | P275-L279 WeakPolarHBondContact O-CB 3.3Å; P275-L279 PolarHBondContact O-N 3.21Å |
| 280 | F | 56.8 | Low | 59.6 | Low | 109 Ų | 109 | 119 Ų | 119 | 48% | 0.478 | 63% | 0.633 | S | S | . | * | trans | -108.5 | 19.9 | -168.6 | -72.9 | -86.2 | 0 | 0 | 0 | 115.1 | C276 C282 C283 F284 | C276-F280 WeakPolarHBondContact O-CB 3.39Å; C276-F280 PolarHBondContact O-N 2.83Å; F280-C282 PolarHBondContact O-N 3.13Å; F280-C283 PolarHBondContact O-N 3.02Å; F280-F284 AromaticContact CD1-CD2 3.93Å; F280-F284 HydrophobicContact CD1-CD2 3.93Å; F280-F284 HydrophobicContact CD1-CE2 4.41Å; F280-F284 HydrophobicContact CE1-CD2 4.38Å; F280-F284 HydrophobicContact CE1-CE2 4.41Å | ||
| 281 | C | 54.7 | Low | 58.6 | Low | 112 Ų | 112 | 121.6 Ų | 121.6 | 76% | 0.757 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.1 | -17.5 | -174.9 | -164.8 | 0 | 0 | 0 | 0 | 114.9 | ||
| 282 | C | 51.1 | Low | 57.7 | Low | 126 Ų | 126 | 120.5 Ų | 120.5 | 85% | 0.851 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.7 | -7.4 | -176.3 | -66.7 | 0 | 0 | 0 | 0 | 116 | F280 | F280-C282 PolarHBondContact O-N 3.13Š|
| 283 | C | 53.1 | Low | 56.7 | Low | 103 Ų | 103 | 117.6 Ų | 117.6 | 70% | 0.696 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.6 | 2.4 | -165.9 | -62.5 | 0 | 0 | 0 | 0 | 117.3 | F280 | F280-C283 PolarHBondContact O-N 3.02Š|
| 284 | F | 49.2 | Very low | 55.8 | Low | 136 Ų | 136 | 119.5 Ų | 119.5 | 60% | 0.596 | 66% | 0.662 | S | S | * | * | trans | -131.6 | 124.8 | 175.5 | -95.5 | -90.6 | 0 | 0 | 0 | 112.5 | F280 C286 | F280-F284 AromaticContact CD1-CD2 3.93Å; F280-F284 HydrophobicContact CD1-CD2 3.93Å; F280-F284 HydrophobicContact CD1-CE2 4.41Å; F280-F284 HydrophobicContact CE1-CD2 4.38Å; F280-F284 HydrophobicContact CE1-CE2 4.41Å; F284-C286 PolarHBondContact O-N 3.03Å | ||
| 285 | P | 54.1 | Low | 54.8 | Low | 121 Ų | 121 | 123.3 Ų | 123.3 | 79% | 0.786 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.6 | -1.5 | 178.6 | -17.4 | 29.8 | 0 | 0 | 0 | 115.3 | C287 | P285-C287 VanDerWaalsContact C-N 3.32Å; P285-C287 PolarHBondContact O-N 3.45Å |
| 286 | C | 50.7 | Low | 54 | Low | 110 Ų | 110 | 126.5 Ų | 126.5 | 74% | 0.743 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.3 | 12.5 | -172.1 | -55 | 0 | 0 | 0 | 0 | 114.3 | F284 | F284-C286 PolarHBondContact O-N 3.03Š|
| 287 | C | 47.5 | Very low | 53.2 | Low | 98 Ų | 98 | 130.8 Ų | 130.8 | 66% | 0.662 | 71% | 0.712 | S | S | * | * | trans | -126.2 | 65.2 | 174.2 | -76.8 | 0 | 0 | 0 | 0 | 110.3 | P285 | P285-C287 VanDerWaalsContact C-N 3.32Å; P285-C287 PolarHBondContact O-N 3.45Å | ||
| 288 | K | 40.4 | Very low | 52.5 | Low | 277 Ų | 277 | 132.5 Ų | 132.5 | 100% | 1.204 | 73% | 0.732 | S | S | * | * | trans | -114.6 | 0 | 153.5 | -85.4 | -173 | 176.8 | 177.7 | 0 | 108.3 |
Retrieved 288 of 288 residues in 155.7 ms
(Link to these results)